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]+ 317.22238 177.5
[M+Na]+ 339.20432 179.5
[M-H]- 315.20782 180.3
[M+NH4]+ 334.24892 190.1
[M+K]+ 355.17826 174.8
[M+H-H2O]+ 299.21236 168.5
[M+HCOO]- 361.21330 190.4
[M+CH3COO]- 375.22895 208.7
[M+Na-2H]- 337.18977 177.8
[M]+ 316.21455 170.4
[M]- 316.21565 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.