CID 3065215

3-(4-benzhydryl-1-piperazinyl)-n-(3-aminophenyl)-n-methylpropionamide

Structural Information

Molecular Formula
C27H32N4O
SMILES
CC(CC(=O)N)N1CCN(CC1)C2=CC(=CC(=C2)N)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H32N4O/c1-20(16-26(29)32)30-12-14-31(15-13-30)25-18-23(17-24(28)19-25)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,17-20,27H,12-16,28H2,1H3,(H2,29,32)
InChIKey
KIHKQHVGSWBBHP-UHFFFAOYSA-N
Compound name
3-[4-(3-amino-5-benzhydrylphenyl)piperazin-1-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2576 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.26488 209.0
[M+Na]+ 451.24682 221.2
[M+NH4]+ 446.29142 215.3
[M+K]+ 467.22076 213.5
[M-H]- 427.25032 217.0
[M+Na-2H]- 449.23227 218.0
[M]+ 428.25705 212.8
[M]- 428.25815 212.8
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.