PubChemLite - Benzamide, 2-hydroxy-5-methyl-n-[2-[(2s,4as,8as)-octahydro-2-(1-methylethyl)-1(2h)-quinolinyl]ethyl]- (C22H34N2O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)O)C(=O)NCCN2[C@H]3CCCC[C@H]3CC[C@H]2C(C)C

InChI

InChI=1S/C22H34N2O2/c1-15(2)19-10-9-17-6-4-5-7-20(17)24(19)13-12-23-22(26)18-14-16(3)8-11-21(18)25/h8,11,14-15,17,19-20,25H,4-7,9-10,12-13H2,1-3H3,(H,23,26)/t17-,19-,20-/m0/s1

InChIKey

OTQNYJHUUOHCLG-IHPCNDPISA-N

Compound name

N-[2-[(2S,4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-2-hydroxy-5-methylbenzamide

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]+	359.26930	191.1
[M+Na]+	381.25124	192.4
[M-H]-	357.25474	193.8
[M+NH4]+	376.29584	202.2
[M+K]+	397.22518	187.7
[M+H-H2O]+	341.25928	182.1
[M+HCOO]-	403.26022	201.9
[M+CH3COO]-	417.27587	219.8
[M+Na-2H]-	379.23669	188.0
[M]+	358.26147	184.8
[M]-	358.26257	184.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.26930

191.1

[M+Na]+

381.25124

192.4

[M-H]-

357.25474

193.8

[M+NH4]+

376.29584

202.2

[M+K]+

397.22518

187.7

[M+H-H2O]+

341.25928

182.1

[M+HCOO]-

403.26022

201.9

[M+CH3COO]-

417.27587

219.8

[M+Na-2H]-

379.23669

188.0

[M]+

358.26147

184.8

[M]-

358.26257

184.8

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

Benzamide, 2-hydroxy-5-methyl-n-[2-[(2s,4as,8as)-octahydro-2-(1-methylethyl)-1(2h)-quinolinyl]ethyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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