CID 3040735

Piperazine, 1-(3-(diphenylamino)propyl)-4-o-tolyl-, dihydrochloride

Structural Information

Molecular Formula
C26H31N3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H31N3/c1-23-11-8-9-16-26(23)28-21-19-27(20-22-28)17-10-18-29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-9,11-16H,10,17-22H2,1H3
InChIKey
KJYRNYDVNSGRHB-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2518 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.25908 197.6
[M+Na]+ 408.24102 199.2
[M-H]- 384.24452 206.3
[M+NH4]+ 403.28562 204.9
[M+K]+ 424.21496 192.4
[M+H-H2O]+ 368.24906 183.6
[M+HCOO]- 430.25000 214.5
[M+CH3COO]- 444.26565 204.5
[M+Na-2H]- 406.22647 199.3
[M]+ 385.25125 192.8
[M]- 385.25235 192.8
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.