PubChemLite - Carbamic acid, [2,5-dihydro-4-hydroxy-2-oxo-5-(2-phenylethyl)-5-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]-3-furanyl]methyl-, 1,1-dimethylethyl ester (C24H32N2O7)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N(C)C1=C(C(OC1=O)(CCC2=CC=CC=C2)C(=O)NCC3CCCO3)O

InChI

InChI=1S/C24H32N2O7/c1-23(2,3)33-22(30)26(4)18-19(27)24(32-20(18)28,13-12-16-9-6-5-7-10-16)21(29)25-15-17-11-8-14-31-17/h5-7,9-10,17,27H,8,11-15H2,1-4H3,(H,25,29)

InChIKey

RNLQUXRYOYWDMA-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-hydroxy-2-oxo-5-(oxolan-2-ylmethylcarbamoyl)-5-(2-phenylethyl)furan-3-yl]-N-methylcarbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	461.22823	208.9
[M+Na]+	483.21017	210.5
[M-H]-	459.21367	219.4
[M+NH4]+	478.25477	218.9
[M+K]+	499.18411	212.3
[M+H-H2O]+	443.21821	203.1
[M+HCOO]-	505.21915	225.9
[M+CH3COO]-	519.23480	235.6
[M+Na-2H]-	481.19562	207.7
[M]+	460.22040	212.9
[M]-	460.22150	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.22823

208.9

[M+Na]+

483.21017

210.5

[M-H]-

459.21367

219.4

[M+NH4]+

478.25477

218.9

[M+K]+

499.18411

212.3

[M+H-H2O]+

443.21821

203.1

[M+HCOO]-

505.21915

225.9

[M+CH3COO]-

519.23480

235.6

[M+Na-2H]-

481.19562

207.7

[M]+

460.22040

212.9

[M]-

460.22150

212.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Carbamic acid, [2,5-dihydro-4-hydroxy-2-oxo-5-(2-phenylethyl)-5-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]-3-furanyl]methyl-, 1,1-dimethylethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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