CID 5727525

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-XSFVSMFZSA-N
Compound name
(E)-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]+ 314.141856 175.7
[M+Na]+ 336.123798 182.2
[M-H]- 312.127304 182.7
[M+NH4]+ 331.168403 188.3
[M+K]+ 352.097738 175.3
[M+H-H2O]+ 296.131840 164.7
[M+HCOO]- 358.132781 190.9
[M+CH3COO]- 372.148431 185.5
[M+Na-2H]- 334.109246 179.0
[M]+ 313.13403142 173.8
[M]- 313.13512858 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.