CID 5154387

5345-53-9

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

237.07495 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.082226 148.0
[M+Na]+ 260.064168 153.7
[M-H]- 236.067674 151.9
[M+NH4]+ 255.108773 164.1
[M+K]+ 276.038108 148.6
[M+H-H2O]+ 220.072210 145.8
[M+HCOO]- 282.073151 174.1
[M+CH3COO]- 296.088801 189.9
[M+Na-2H]- 258.049616 153.6
[M]+ 237.07440142 146.1
[M]- 237.07549858 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