CID 5347951

N-(3-methylbenzylidene)-4-phenyl-1-piperazinamine

Structural Information

Molecular Formula
C18H21N3
SMILES
CC1=CC(=CC=C1)/C=N/N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3/c1-16-6-5-7-17(14-16)15-19-21-12-10-20(11-13-21)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3/b19-15+
InChIKey
NJCPKBULCCSCOS-XDJHFCHBSA-N
Compound name
(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

279.17355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.180826 167.8
[M+Na]+ 302.162768 172.7
[M-H]- 278.166274 174.9
[M+NH4]+ 297.207373 180.6
[M+K]+ 318.136708 167.3
[M+H-H2O]+ 262.170810 156.5
[M+HCOO]- 324.171751 187.8
[M+CH3COO]- 338.187401 177.9
[M+Na-2H]- 300.148216 172.6
[M]+ 279.17300142 163.3
[M]- 279.17409858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.