CID 3074826

2h-quinolizine-1-acetamide, octahydro-n-(2-benzoyl-4-chlorophenyl)-, monohydrochloride, (1s-trans)-

Structural Information

Molecular Formula
C24H27ClN2O2
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H27ClN2O2/c25-19-11-12-21(20(16-19)24(29)17-7-2-1-3-8-17)26-23(28)15-18-9-6-14-27-13-5-4-10-22(18)27/h1-3,7-8,11-12,16,18,22H,4-6,9-10,13-15H2,(H,26,28)/t18-,22+/m0/s1
InChIKey
FLIVPWNCNZKOSQ-PGRDOPGGSA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2-benzoyl-4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.17612 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18340 198.6
[M+Na]+ 433.16534 200.6
[M-H]- 409.16884 205.1
[M+NH4]+ 428.20994 207.9
[M+K]+ 449.13928 193.7
[M+H-H2O]+ 393.17338 187.9
[M+HCOO]- 455.17432 207.1
[M+CH3COO]- 469.18997 205.0
[M+Na-2H]- 431.15079 197.5
[M]+ 410.17557 193.4
[M]- 410.17667 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.