CID 13043986

65003-40-9

Structural Information

Molecular Formula
C10H9N3O4
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H9N3O4/c1-17-10(16)13-9-11-6-3-2-5(8(14)15)4-7(6)12-9/h2-4H,1H3,(H,14,15)(H2,11,12,13,16)
InChIKey
GIGRDSFULBVHHT-UHFFFAOYSA-N
Compound name
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

235.05931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 148.7
[M+Na]+ 258.04853 158.6
[M+NH4]+ 253.09313 153.7
[M+K]+ 274.02247 157.5
[M-H]- 234.05203 147.1
[M+Na-2H]- 256.03398 151.9
[M]+ 235.05876 149.1
[M]- 235.05986 149.1
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