CID 3058848

75688-92-5

Structural Information

Molecular Formula
C28H30N2O
SMILES
CCC(=O)N(C1CCN2CC(C3=CC=CC=C3C2C1)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H30N2O/c1-2-28(31)30(22-13-7-4-8-14-22)23-17-18-29-20-26(21-11-5-3-6-12-21)24-15-9-10-16-25(24)27(29)19-23/h3-16,23,26-27H,2,17-20H2,1H3
InChIKey
ASBWZSLPLOXCAV-UHFFFAOYSA-N
Compound name
N-phenyl-N-(7-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2358 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.24308 201.4
[M+Na]+ 433.22502 203.0
[M-H]- 409.22852 209.8
[M+NH4]+ 428.26962 211.0
[M+K]+ 449.19896 196.5
[M+H-H2O]+ 393.23306 188.4
[M+HCOO]- 455.23400 214.8
[M+CH3COO]- 469.24965 207.9
[M+Na-2H]- 431.21047 202.5
[M]+ 410.23525 195.6
[M]- 410.23635 195.6
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.