CID 66765

95-23-8

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC2=C(C=C1N)NC(=O)N2
InChI
InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKey
BCXSVFBDMPSKPT-UHFFFAOYSA-N
Compound name
5-amino-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

854
Patents

149.05891 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe