CID 5276310

Chembl46927

Structural Information

Molecular Formula
C19H27ClN2O2
SMILES
C1CC[C@H]2[C@@H](C1)CCCN2CCCNC(=O)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C19H27ClN2O2/c20-15-8-9-18(23)16(13-15)19(24)21-10-4-12-22-11-3-6-14-5-1-2-7-17(14)22/h8-9,13-14,17,23H,1-7,10-12H2,(H,21,24)/t14-,17-/m0/s1
InChIKey
QYWUJPHKIYSCDR-YOEHRIQHSA-N
Compound name
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]propyl]-5-chloro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.17612 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18340 183.9
[M+Na]+ 373.16534 186.7
[M-H]- 349.16884 186.5
[M+NH4]+ 368.20994 196.1
[M+K]+ 389.13928 180.4
[M+H-H2O]+ 333.17338 175.5
[M+HCOO]- 395.17432 192.3
[M+CH3COO]- 409.18997 212.3
[M+Na-2H]- 371.15079 183.8
[M]+ 350.17557 179.1
[M]- 350.17667 179.1
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.