CID 1358692

4-benzhydryl-n-(3,4-dichlorophenyl)-1-piperazinecarboxamide

Structural Information

Molecular Formula
C24H23Cl2N3O
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H23Cl2N3O/c25-21-12-11-20(17-22(21)26)27-24(30)29-15-13-28(14-16-29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,27,30)
InChIKey
VNNNUWKZMXUHTF-UHFFFAOYSA-N
Compound name
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.12183 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.12911 202.9
[M+Na]+ 462.11105 207.2
[M-H]- 438.11455 210.2
[M+NH4]+ 457.15565 209.2
[M+K]+ 478.08499 198.7
[M+H-H2O]+ 422.11909 190.8
[M+HCOO]- 484.12003 209.0
[M+CH3COO]- 498.13568 209.2
[M+Na-2H]- 460.09650 202.5
[M]+ 439.12128 200.7
[M]- 439.12238 200.7
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.