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 199.1
[M+Na]+ 433.16534 212.2
[M+NH4]+ 428.20994 207.2
[M+K]+ 449.13928 202.9
[M-H]- 409.16884 205.6
[M+Na-2H]- 431.15079 206.1
[M]+ 410.17557 203.0
[M]- 410.17667 203.0
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.