PubChemLite - 2-furancarboxamide, n-[[4-(1,1-dimethylethyl)phenyl]methyl]-2,5-dihydro-3-hydroxy-5-oxo-4-(1-phenylethyl)-2-(2-phenylethyl)- (C32H35NO4)

Structural Information

Molecular Formula

SMILES

CC(C1=CC=CC=C1)C2=C(C(OC2=O)(CCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(C)(C)C)O

InChI

InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,34H,19-21H2,1-4H3,(H,33,36)

InChIKey

PCMRLOMMAYYDQP-UHFFFAOYSA-N

Compound name

N-[(4-tert-butylphenyl)methyl]-3-hydroxy-5-oxo-4-(1-phenylethyl)-2-(2-phenylethyl)furan-2-carboxamide

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]+	498.26390	225.7
[M+Na]+	520.24584	229.0
[M-H]-	496.24934	237.3
[M+NH4]+	515.29044	233.2
[M+K]+	536.21978	224.9
[M+H-H2O]+	480.25388	216.1
[M+HCOO]-	542.25482	241.8
[M+CH3COO]-	556.27047	242.1
[M+Na-2H]-	518.23129	223.6
[M]+	497.25607	227.3
[M]-	497.25717	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.26390

225.7

[M+Na]+

520.24584

229.0

[M-H]-

496.24934

237.3

[M+NH4]+

515.29044

233.2

[M+K]+

536.21978

224.9

[M+H-H2O]+

480.25388

216.1

[M+HCOO]-

542.25482

241.8

[M+CH3COO]-

556.27047

242.1

[M+Na-2H]-

518.23129

223.6

[M]+

497.25607

227.3

[M]-

497.25717

227.3

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

2-furancarboxamide, n-[[4-(1,1-dimethylethyl)phenyl]methyl]-2,5-dihydro-3-hydroxy-5-oxo-4-(1-phenylethyl)-2-(2-phenylethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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