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]+ 280.18083 169.0
[M+Na]+ 302.16277 184.1
[M+NH4]+ 297.20737 178.0
[M+K]+ 318.13671 174.3
[M-H]- 278.16627 176.2
[M+Na-2H]- 300.14822 180.0
[M]+ 279.17300 173.3
[M]- 279.17410 173.3
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.