CID 5276311

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

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CC1=CC(=C(C=C1)O)C(=O)NCCN2CCC[C@H]3[C@@H]2CCCC3
InChI
InChI=1S/C19H28N2O2/c1-14-8-9-18(22)16(13-14)19(23)20-10-12-21-11-4-6-15-5-2-3-7-17(15)21/h8-9,13,15,17,22H,2-7,10-12H2,1H3,(H,20,23)/t15-,17-/m0/s1
InChIKey
ZWYHLDPCWFTUNS-RDJZCZTQSA-N
Compound name
N-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-2-hydroxy-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 177.5
[M+Na]+ 339.204318 179.5
[M-H]- 315.207824 180.3
[M+NH4]+ 334.248923 190.1
[M+K]+ 355.178258 174.8
[M+H-H2O]+ 299.212360 168.5
[M+HCOO]- 361.213301 190.4
[M+CH3COO]- 375.228951 208.7
[M+Na-2H]- 337.189766 177.8
[M]+ 316.21455142 170.4
[M]- 316.21564858 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.