CID 458743

4-amino-benzoylurea

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1=CC(=CC=C1C(=O)NC(=O)N)N
InChI
InChI=1S/C8H9N3O2/c9-6-3-1-5(2-4-6)7(12)11-8(10)13/h1-4H,9H2,(H3,10,11,12,13)
InChIKey
UXHAGRRENABUAY-UHFFFAOYSA-N
Compound name
4-amino-N-carbamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 136.9
[M+Na]+ 202.05869 143.2
[M-H]- 178.06219 140.0
[M+NH4]+ 197.10329 155.3
[M+K]+ 218.03263 141.6
[M+H-H2O]+ 162.06673 130.3
[M+HCOO]- 224.06767 162.4
[M+CH3COO]- 238.08332 186.1
[M+Na-2H]- 200.04414 141.0
[M]+ 179.06892 132.5
[M]- 179.07002 132.5
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