CID 3074824

2h-quinolizine-1-acetamide, octahydro-n-(3-benzoylphenyl)-, (1s-trans)-

Structural Information

Molecular Formula
C24H28N2O2
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CC(=O)NC3=CC=CC(=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H28N2O2/c27-23(17-19-11-7-15-26-14-5-4-13-22(19)26)25-21-12-6-10-20(16-21)24(28)18-8-2-1-3-9-18/h1-3,6,8-10,12,16,19,22H,4-5,7,11,13-15,17H2,(H,25,27)/t19-,22+/m0/s1
InChIKey
IHTVVGHZZQDWNE-SIKLNZKXSA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(3-benzoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 193.6
[M+Na]+ 399.20432 205.4
[M+NH4]+ 394.24892 201.4
[M+K]+ 415.17826 196.9
[M-H]- 375.20782 200.0
[M+Na-2H]- 397.18977 200.7
[M]+ 376.21455 196.9
[M]- 376.21565 196.9
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.