CID 351215

N-(4-nitrophenyl)-n'-(4-nitrophenyl)ethane-1,2-diamide

Structural Information

Molecular Formula
C14H10N4O6
SMILES
C1=CC(=CC=C1NC(=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O6/c19-13(15-9-1-5-11(6-2-9)17(21)22)14(20)16-10-3-7-12(8-4-10)18(23)24/h1-8H,(H,15,19)(H,16,20)
InChIKey
IBRPVMOCJJBNND-UHFFFAOYSA-N
Compound name
N,N'-bis(4-nitrophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.06003 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06731 168.4
[M+Na]+ 353.04925 170.7
[M-H]- 329.05275 174.6
[M+NH4]+ 348.09385 178.3
[M+K]+ 369.02319 160.8
[M+H-H2O]+ 313.05729 168.2
[M+HCOO]- 375.05823 194.2
[M+CH3COO]- 389.07388 198.9
[M+Na-2H]- 351.03470 176.3
[M]+ 330.05948 163.6
[M]- 330.06058 163.6
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

patents stripe