CID 3040729

1-piperazinepropanamine, n,n,4-triphenyl-, dihydrochloride

Structural Information

Molecular Formula
C25H29N3
SMILES
C1CN(CCN1CCCN(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3/c1-4-11-23(12-5-1)27-21-19-26(20-22-27)17-10-18-28(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16H,10,17-22H2
InChIKey
NDHYBPLEKGXKDX-UHFFFAOYSA-N
Compound name
N-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.23615 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.24343 192.3
[M+Na]+ 394.22537 193.4
[M-H]- 370.22887 200.8
[M+NH4]+ 389.26997 199.9
[M+K]+ 410.19931 186.8
[M+H-H2O]+ 354.23341 178.4
[M+HCOO]- 416.23435 209.5
[M+CH3COO]- 430.25000 199.3
[M+Na-2H]- 392.21082 195.4
[M]+ 371.23560 186.8
[M]- 371.23670 186.8
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.