CID 6900543

4-(4-methylbenzyl)-n-(3-methylbenzylidene)-1-piperazinamine

Structural Information

Molecular Formula
C20H25N3
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC=CC(=C3)C
InChI
InChI=1S/C20H25N3/c1-17-6-8-19(9-7-17)16-22-10-12-23(13-11-22)21-15-20-5-3-4-18(2)14-20/h3-9,14-15H,10-13,16H2,1-2H3/b21-15+
InChIKey
QGMSXNMLJGFDAB-RCCKNPSSSA-N
Compound name
(E)-1-(3-methylphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20483 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 177.2
[M+Na]+ 330.19405 182.1
[M-H]- 306.19755 184.3
[M+NH4]+ 325.23865 189.2
[M+K]+ 346.16799 176.3
[M+H-H2O]+ 290.20209 165.6
[M+HCOO]- 352.20303 196.5
[M+CH3COO]- 366.21868 186.7
[M+Na-2H]- 328.17950 180.1
[M]+ 307.20428 173.8
[M]- 307.20538 173.8
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.