CID 5347614

N-(2-chloro-5-nitrobenzylidene)-4-phenyl-1-piperazinamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
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]+ 345.11128 180.4
[M+Na]+ 367.09322 184.8
[M-H]- 343.09672 187.3
[M+NH4]+ 362.13782 190.3
[M+K]+ 383.06716 175.0
[M+H-H2O]+ 327.10126 173.9
[M+HCOO]- 389.10220 196.8
[M+CH3COO]- 403.11785 207.9
[M+Na-2H]- 365.07867 185.8
[M]+ 344.10345 176.9
[M]- 344.10455 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.