CID 727371

55621-49-3

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=C(C(=CC2=C1NC(=O)N2)N)N
InChI
InChI=1S/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)
InChIKey
BRISYWKBJNSDPL-UHFFFAOYSA-N
Compound name
5,6-diamino-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

164.06981 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 129.7
[M+Na]+ 187.05903 140.9
[M+NH4]+ 182.10363 136.7
[M+K]+ 203.03297 138.4
[M-H]- 163.06253 130.4
[M+Na-2H]- 185.04448 134.5
[M]+ 164.06926 131.0
[M]- 164.07036 131.0
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