CID 4356492

4-benzhydryl-n-(3-chlorophenyl)-1-piperazinecarboxamide

Structural Information

Molecular Formula
C24H24ClN3O
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H24ClN3O/c25-21-12-7-13-22(18-21)26-24(29)28-16-14-27(15-17-28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,26,29)
InChIKey
IYKKGYSQUZEAGE-UHFFFAOYSA-N
Compound name
4-benzhydryl-N-(3-chlorophenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1608 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16808 197.4
[M+Na]+ 428.15002 200.4
[M-H]- 404.15352 205.2
[M+NH4]+ 423.19462 204.2
[M+K]+ 444.12396 192.6
[M+H-H2O]+ 388.15806 184.8
[M+HCOO]- 450.15900 208.5
[M+CH3COO]- 464.17465 204.1
[M+Na-2H]- 426.13547 198.5
[M]+ 405.16025 193.0
[M]- 405.16135 193.0
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.