CID 67073

Einecs 204-349-1

Structural Information

Molecular Formula
C10H11N3O4
SMILES
CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-10(13(16)17)9(5-8)12-7(2)15/h3-5H,1-2H3,(H,11,14)(H,12,15)
InChIKey
BBPXRFUIVJRWKY-UHFFFAOYSA-N
Compound name
N-(3-acetamido-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.07495 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 148.0
[M+Na]+ 260.06417 153.7
[M-H]- 236.06767 151.9
[M+NH4]+ 255.10877 164.1
[M+K]+ 276.03811 148.6
[M+H-H2O]+ 220.07221 145.8
[M+HCOO]- 282.07315 174.1
[M+CH3COO]- 296.08880 189.9
[M+Na-2H]- 258.04962 153.6
[M]+ 237.07440 146.1
[M]- 237.07550 146.1
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

patents stripe