CID 5347767

N-(2-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/c1-16-7-5-6-8-17(16)15-19-21-13-11-20(12-14-21)18-9-3-2-4-10-18/h2-10,15H,11-14H2,1H3/b19-15+
InChIKey
XKSRUXMJHGMEKR-XDJHFCHBSA-N
Compound name
(E)-1-(2-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 167.8
[M+Na]+ 302.16277 172.7
[M-H]- 278.16627 174.9
[M+NH4]+ 297.20737 180.6
[M+K]+ 318.13671 167.3
[M+H-H2O]+ 262.17081 156.5
[M+HCOO]- 324.17175 187.8
[M+CH3COO]- 338.18740 177.9
[M+Na-2H]- 300.14822 172.6
[M]+ 279.17300 163.3
[M]- 279.17410 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.