CID 5342883

307328-21-8

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]+ 325.165906 176.1
[M+Na]+ 347.147848 178.8
[M-H]- 323.151354 183.0
[M+NH4]+ 342.192453 185.8
[M+K]+ 363.121788 170.0
[M+H-H2O]+ 307.155890 168.7
[M+HCOO]- 369.156831 197.0
[M+CH3COO]- 383.172481 206.1
[M+Na-2H]- 345.133296 182.5
[M]+ 324.15808142 170.2
[M]- 324.15917858 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.