CID 91112

1-(3-(p-chlorophenyl)-3-phenylpropyl)-4-(2-pyridyl)piperazine maleate

Structural Information

Molecular Formula
C24H26ClN3
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI
InChI=1S/C24H26ClN3/c25-22-11-9-21(10-12-22)23(20-6-2-1-3-7-20)13-15-27-16-18-28(19-17-27)24-8-4-5-14-26-24/h1-12,14,23H,13,15-19H2
InChIKey
NGIDDZDBYBXUJX-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-phenylpropyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.18152 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18880 196.3
[M+Na]+ 414.17074 200.0
[M-H]- 390.17424 202.2
[M+NH4]+ 409.21534 202.5
[M+K]+ 430.14468 191.1
[M+H-H2O]+ 374.17878 182.3
[M+HCOO]- 436.17972 205.2
[M+CH3COO]- 450.19537 202.7
[M+Na-2H]- 412.15619 197.5
[M]+ 391.18097 192.5
[M]- 391.18207 192.5
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.