CID 6879178

4-benzyl-n-(2-chloro-5-nitrobenzylidene)-1-piperazinamine

Structural Information

Molecular Formula
C18H19ClN4O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H19ClN4O2/c19-18-7-6-17(23(24)25)12-16(18)13-20-22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/b20-13+
InChIKey
IAMPZDSRGBVQSP-DEDYPNTBSA-N
Compound name
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chloro-5-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

358.11966 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12694 181.6
[M+Na]+ 381.10888 197.1
[M+NH4]+ 376.15348 189.4
[M+K]+ 397.08282 190.3
[M-H]- 357.11238 189.2
[M+Na-2H]- 379.09433 191.1
[M]+ 358.11911 186.1
[M]- 358.12021 186.1
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.