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 191.1
[M+Na]+ 399.20432 191.4
[M-H]- 375.20782 197.5
[M+NH4]+ 394.24892 200.6
[M+K]+ 415.17826 185.8
[M+H-H2O]+ 359.21236 179.8
[M+HCOO]- 421.21330 204.1
[M+CH3COO]- 435.22895 197.6
[M+Na-2H]- 397.18977 191.2
[M]+ 376.21455 182.9
[M]- 376.21565 182.9
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.