CID 15020059

4-amino-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC(=C2C(=C1)NC(=O)N2)N
InChI
InChI=1S/C7H7N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKey
BCUSTVNWMJXDSE-UHFFFAOYSA-N
Compound name
4-amino-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

149.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 126.0
[M+Na]+ 172.04813 137.2
[M-H]- 148.05163 126.1
[M+NH4]+ 167.09273 146.1
[M+K]+ 188.02207 132.4
[M+H-H2O]+ 132.05617 119.9
[M+HCOO]- 194.05711 148.6
[M+CH3COO]- 208.07276 139.8
[M+Na-2H]- 170.03358 134.0
[M]+ 149.05836 123.4
[M]- 149.05946 123.4
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