CID 5347539

4-(4-methylbenzyl)-n-(2-methylbenzylidene)-1-piperazinamine

Structural Information

Molecular Formula
C20H25N3
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC=CC=C3C
InChI
InChI=1S/C20H25N3/c1-17-7-9-19(10-8-17)16-22-11-13-23(14-12-22)21-15-20-6-4-3-5-18(20)2/h3-10,15H,11-14,16H2,1-2H3/b21-15+
InChIKey
QHNZTHYPZRSUQC-RCCKNPSSSA-N
Compound name
(E)-1-(2-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]+ 308.212106 177.2
[M+Na]+ 330.194048 182.1
[M-H]- 306.197554 184.3
[M+NH4]+ 325.238653 189.2
[M+K]+ 346.167988 176.3
[M+H-H2O]+ 290.202090 165.6
[M+HCOO]- 352.203031 196.5
[M+CH3COO]- 366.218681 186.7
[M+Na-2H]- 328.179496 180.1
[M]+ 307.20428142 173.8
[M]- 307.20537858 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.