CID 3040695

Piperazine, 1-(3-chlorophenyl)-4-(3-(diphenylamino)-1-oxopropyl)-, monohydrochloride

Structural Information

Molecular Formula
C25H26ClN3O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26ClN3O/c26-21-8-7-13-24(20-21)27-16-18-28(19-17-27)25(30)14-15-29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20H,14-19H2
InChIKey
XBGAZFLNCUOSQF-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.17645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18373 202.1
[M+Na]+ 442.16567 204.9
[M-H]- 418.16917 210.9
[M+NH4]+ 437.21027 208.9
[M+K]+ 458.13961 197.7
[M+H-H2O]+ 402.17371 188.7
[M+HCOO]- 464.17465 214.2
[M+CH3COO]- 478.19030 208.9
[M+Na-2H]- 440.15112 202.9
[M]+ 419.17590 199.7
[M]- 419.17700 199.7
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.