CID 5398200

N-[(e)-(2-chlorophenyl)methylidene]-4-(4-methylphenyl)-1-piperazinamine

Structural Information

Molecular Formula
C18H20ClN3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)/N=C\C3=CC=CC=C3Cl
InChI
InChI=1S/C18H20ClN3/c1-15-6-8-17(9-7-15)21-10-12-22(13-11-21)20-14-16-4-2-3-5-18(16)19/h2-9,14H,10-13H2,1H3/b20-14-
InChIKey
JYULTOPNWMPUNL-ZHZULCJRSA-N
Compound name
(Z)-1-(2-chlorophenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13458 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14186 175.7
[M+Na]+ 336.12380 182.2
[M-H]- 312.12730 182.7
[M+NH4]+ 331.16840 188.3
[M+K]+ 352.09774 175.3
[M+H-H2O]+ 296.13184 164.7
[M+HCOO]- 358.13278 190.9
[M+CH3COO]- 372.14843 185.5
[M+Na-2H]- 334.10925 179.0
[M]+ 313.13403 173.8
[M]- 313.13513 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.