CID 5342883

(e)-n-(4-benzylpiperazin-1-yl)-1-(2-nitrophenyl)methanimine

Structural Information

Molecular Formula
C18H20N4O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O2/c23-22(24)18-9-5-4-8-17(18)14-19-21-12-10-20(11-13-21)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/b19-14+
InChIKey
VKBQZSAOIDUDJG-XMHGGMMESA-N
Compound name
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

324.15863 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 176.1
[M+Na]+ 347.14785 178.8
[M-H]- 323.15135 183.0
[M+NH4]+ 342.19245 185.8
[M+K]+ 363.12179 170.0
[M+H-H2O]+ 307.15589 168.7
[M+HCOO]- 369.15683 197.0
[M+CH3COO]- 383.17248 206.1
[M+Na-2H]- 345.13330 182.5
[M]+ 324.15808 170.2
[M]- 324.15918 170.2
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.