CID 4626678

N-(2-nitrophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C18H19N5O5
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19N5O5/c24-18(19-16-3-1-2-4-17(16)23(27)28)13-20-9-11-21(12-10-20)14-5-7-15(8-6-14)22(25)26/h1-8H,9-13H2,(H,19,24)
InChIKey
TZVSYIFZNQIWJP-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1386 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14588 185.9
[M+Na]+ 408.12782 185.9
[M-H]- 384.13132 191.6
[M+NH4]+ 403.17242 190.8
[M+K]+ 424.10176 174.1
[M+H-H2O]+ 368.13586 182.9
[M+HCOO]- 430.13680 204.5
[M+CH3COO]- 444.15245 209.4
[M+Na-2H]- 406.11327 192.7
[M]+ 385.13805 177.6
[M]- 385.13915 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.