CID 779710

5-amino-1,3-dimethyl-1h-benzo[d]imidazol-2(3h)-one

Structural Information

Molecular Formula
C9H11N3O
SMILES
CN1C2=C(C=C(C=C2)N)N(C1=O)C
InChI
InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3
InChIKey
JHKRQZQRGCCWOO-UHFFFAOYSA-N
Compound name
5-amino-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

146
Patents

177.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 134.7
[M+Na]+ 200.07943 147.7
[M-H]- 176.08293 137.9
[M+NH4]+ 195.12403 155.7
[M+K]+ 216.05337 144.2
[M+H-H2O]+ 160.08747 128.3
[M+HCOO]- 222.08841 159.6
[M+CH3COO]- 236.10406 183.9
[M+Na-2H]- 198.06488 141.0
[M]+ 177.08966 137.3
[M]- 177.09076 137.3
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