CID 5276319

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

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CC1CCN([C@@H]2[C@H]1CCCC2)CCNC(=O)C3=C(C=CC(=C3)C)O
InChI
InChI=1S/C20H30N2O2/c1-14-7-8-19(23)17(13-14)20(24)21-10-12-22-11-9-15(2)16-5-3-4-6-18(16)22/h7-8,13,15-16,18,23H,3-6,9-12H2,1-2H3,(H,21,24)/t15?,16-,18-/m0/s1
InChIKey
RSLWWLHGYJYNRE-YLGOGADGSA-N
Compound name
N-[2-[(4aS,8aS)-4-methyl-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

330.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23802 182.4
[M+Na]+ 353.21996 184.9
[M-H]- 329.22346 185.4
[M+NH4]+ 348.26456 194.8
[M+K]+ 369.19390 180.0
[M+H-H2O]+ 313.22800 173.5
[M+HCOO]- 375.22894 194.9
[M+CH3COO]- 389.24459 212.9
[M+Na-2H]- 351.20541 181.5
[M]+ 330.23019 176.1
[M]- 330.23129 176.1
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.