CID 5343134

4-(4-chlorophenyl)-n-(2-nitrobenzylidene)-1-piperazinamine

Structural Information

Molecular Formula
C17H17ClN4O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C17H17ClN4O2/c18-15-5-7-16(8-6-15)20-9-11-21(12-10-20)19-13-14-3-1-2-4-17(14)22(23)24/h1-8,13H,9-12H2/b19-13+
InChIKey
DVAKTGFHOXUGRT-CPNJWEJPSA-N
Compound name
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

344.104 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.111276 180.4
[M+Na]+ 367.093218 184.8
[M-H]- 343.096724 187.3
[M+NH4]+ 362.137823 190.3
[M+K]+ 383.067158 175.0
[M+H-H2O]+ 327.101260 173.9
[M+HCOO]- 389.102201 196.8
[M+CH3COO]- 403.117851 207.9
[M+Na-2H]- 365.078666 185.8
[M]+ 344.10345142 176.9
[M]- 344.10454858 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.