CID 45051171

Dtxsid601155585

Structural Information

Molecular Formula
C25H26ClN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C25H26ClN3O/c1-19-12-13-22(18-23(19)26)27-25(30)29-16-14-28(15-17-29)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)
InChIKey
ZDXKGQMSNOWJBI-UHFFFAOYSA-N
Compound name
4-benzhydryl-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.17645 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18373 202.5
[M+Na]+ 442.16567 205.9
[M-H]- 418.16917 210.6
[M+NH4]+ 437.21027 209.1
[M+K]+ 458.13961 198.0
[M+H-H2O]+ 402.17371 189.9
[M+HCOO]- 464.17465 213.2
[M+CH3COO]- 478.19030 209.1
[M+Na-2H]- 440.15112 202.3
[M]+ 419.17590 198.9
[M]- 419.17700 198.9
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.