CID 248911

1-(3-nitrobenzoyl)urea

Structural Information

Molecular Formula
C8H7N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)N
InChI
InChI=1S/C8H7N3O4/c9-8(13)10-7(12)5-2-1-3-6(4-5)11(14)15/h1-4H,(H3,9,10,12,13)
InChIKey
QKQRYUWLAKVQOQ-UHFFFAOYSA-N
Compound name
N-carbamoyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.04366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05094 139.0
[M+Na]+ 232.03288 144.7
[M-H]- 208.03638 142.4
[M+NH4]+ 227.07748 155.7
[M+K]+ 248.00682 139.7
[M+H-H2O]+ 192.04092 136.9
[M+HCOO]- 254.04186 165.2
[M+CH3COO]- 268.05751 181.9
[M+Na-2H]- 230.01833 145.3
[M]+ 209.04311 135.1
[M]- 209.04421 135.1
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