PubChemLite - 747412-64-2 (C27H33N3O5)

Structural Information

Molecular Formula

SMILES

CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)(C)C

InChI

InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)

InChIKey

WLYWTGDTMWWNNG-UHFFFAOYSA-N

Compound name

5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-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]+	480.24931	220.5
[M+Na]+	502.23125	224.2
[M-H]-	478.23475	229.4
[M+NH4]+	497.27585	222.5
[M+K]+	518.20519	221.3
[M+H-H2O]+	462.23929	210.0
[M+HCOO]-	524.24023	231.3
[M+CH3COO]-	538.25588	237.5
[M+Na-2H]-	500.21670	217.7
[M]+	479.24148	220.7
[M]-	479.24258	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.24931

220.5

[M+Na]+

502.23125

224.2

[M-H]-

478.23475

229.4

[M+NH4]+

497.27585

222.5

[M+K]+

518.20519

221.3

[M+H-H2O]+

462.23929

210.0

[M+HCOO]-

524.24023

231.3

[M+CH3COO]-

538.25588

237.5

[M+Na-2H]-

500.21670

217.7

[M]+

479.24148

220.7

[M]-

479.24258

220.7

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

747412-64-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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