PubChemLite - Benzamide, 5-chloro-2-hydroxy-n-[2-[(2r,4as,8as)-octahydro-2-methyl-1(2h)-quinolinyl]ethyl]- (C19H27ClN2O2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1CCNC(=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H27ClN2O2/c1-13-6-7-14-4-2-3-5-17(14)22(13)11-10-21-19(24)16-12-15(20)8-9-18(16)23/h8-9,12-14,17,23H,2-7,10-11H2,1H3,(H,21,24)/t13-,14+,17+/m1/s1

InChIKey

UALNGQUWGGRSES-KEYYUXOJSA-N

Compound name

N-[2-[(2R,4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5-chloro-2-hydroxybenzamide

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]+	351.18340	184.5
[M+Na]+	373.16534	188.2
[M-H]-	349.16884	187.5
[M+NH4]+	368.20994	197.0
[M+K]+	389.13928	182.0
[M+H-H2O]+	333.17338	176.5
[M+HCOO]-	395.17432	192.9
[M+CH3COO]-	409.18997	213.5
[M+Na-2H]-	371.15079	183.6
[M]+	350.17557	180.2
[M]-	350.17667	180.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.18340

184.5

[M+Na]+

373.16534

188.2

[M-H]-

349.16884

187.5

[M+NH4]+

368.20994

197.0

[M+K]+

389.13928

182.0

[M+H-H2O]+

333.17338

176.5

[M+HCOO]-

395.17432

192.9

[M+CH3COO]-

409.18997

213.5

[M+Na-2H]-

371.15079

183.6

[M]+

350.17557

180.2

[M]-

350.17667

180.2

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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