CID 5276312

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

Structural Information

Molecular Formula
C18H25ClN2O2
SMILES
C1CC[C@H]2[C@@H](C1)CCCN2CCNC(=O)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C18H25ClN2O2/c19-14-7-8-17(22)15(12-14)18(23)20-9-11-21-10-3-5-13-4-1-2-6-16(13)21/h7-8,12-13,16,22H,1-6,9-11H2,(H,20,23)/t13-,16-/m0/s1
InChIKey
IGNBDKPDTCGBAU-BBRMVZONSA-N
Compound name
N-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5-chloro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.16046 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16774 179.5
[M+Na]+ 359.14968 182.7
[M-H]- 335.15318 182.3
[M+NH4]+ 354.19428 192.2
[M+K]+ 375.12362 176.7
[M+H-H2O]+ 319.15772 171.4
[M+HCOO]- 381.15866 188.2
[M+CH3COO]- 395.17431 209.3
[M+Na-2H]- 357.13513 179.9
[M]+ 336.15991 174.4
[M]- 336.16101 174.4
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.