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]+ 386.145876 185.9
[M+Na]+ 408.127818 185.9
[M-H]- 384.131324 191.6
[M+NH4]+ 403.172423 190.8
[M+K]+ 424.101758 174.1
[M+H-H2O]+ 368.135860 182.9
[M+HCOO]- 430.136801 204.5
[M+CH3COO]- 444.152451 209.4
[M+Na-2H]- 406.113266 192.7
[M]+ 385.13805142 177.6
[M]- 385.13914858 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.