CID 5347766

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

Structural Information

Molecular Formula
C19H22ClN3
SMILES
CC1=CC=CC=C1/C=N/N2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3/c1-16-4-2-3-5-18(16)14-21-23-12-10-22(11-13-23)15-17-6-8-19(20)9-7-17/h2-9,14H,10-13,15H2,1H3/b21-14+
InChIKey
UIOPAVMKFJOFCQ-KGENOOAVSA-N
Compound name
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.15024 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15752 180.1
[M+Na]+ 350.13946 186.2
[M-H]- 326.14296 186.9
[M+NH4]+ 345.18406 192.1
[M+K]+ 366.11340 179.0
[M+H-H2O]+ 310.14750 168.9
[M+HCOO]- 372.14844 195.0
[M+CH3COO]- 386.16409 189.5
[M+Na-2H]- 348.12491 182.9
[M]+ 327.14969 178.5
[M]- 327.15079 178.5
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.