CID 3021554

Benzamide, n-(4-((4-(4-chlorophenyl)-1-piperazinyl)carbonyl)phenyl)-

Structural Information

Molecular Formula
C24H22ClN3O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H22ClN3O2/c25-20-8-12-22(13-9-20)27-14-16-28(17-15-27)24(30)19-6-10-21(11-7-19)26-23(29)18-4-2-1-3-5-18/h1-13H,14-17H2,(H,26,29)
InChIKey
BPUJMBPALIFGMT-UHFFFAOYSA-N
Compound name
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14733 200.2
[M+Na]+ 442.12927 204.1
[M-H]- 418.13277 208.5
[M+NH4]+ 437.17387 206.5
[M+K]+ 458.10321 196.7
[M+H-H2O]+ 402.13731 187.7
[M+HCOO]- 464.13825 211.6
[M+CH3COO]- 478.15390 207.2
[M+Na-2H]- 440.11472 200.6
[M]+ 419.13950 196.9
[M]- 419.14060 196.9
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.