CID 4065950

N,n'-(2,3-dinitro-1,4-phenylene)bisacetamide

Structural Information

Molecular Formula
C10H10N4O6
SMILES
CC(=O)NC1=C(C(=C(C=C1)NC(=O)C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O6/c1-5(15)11-7-3-4-8(12-6(2)16)10(14(19)20)9(7)13(17)18/h3-4H,1-2H3,(H,11,15)(H,12,16)
InChIKey
DGNNIDWBARYYSR-UHFFFAOYSA-N
Compound name
N-(4-acetamido-2,3-dinitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06003 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06731 156.2
[M+Na]+ 305.04925 160.7
[M-H]- 281.05275 160.0
[M+NH4]+ 300.09385 195.2
[M+K]+ 321.02319 151.9
[M+H-H2O]+ 265.05729 157.9
[M+HCOO]- 327.05823 204.3
[M+CH3COO]- 341.07388 192.8
[M+Na-2H]- 303.03470 162.8
[M]+ 282.05948 152.9
[M]- 282.06058 152.9
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.