CID 4915666

174533-99-4

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)O)O
InChI
InChI=1S/C14H10N2O4/c17-11-4-2-7(6-12(11)18)13-15-9-3-1-8(14(19)20)5-10(9)16-13/h1-6,17-18H,(H,15,16)(H,19,20)
InChIKey
UDYQXHVPYOHLJN-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

270.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 157.5
[M+Na]+ 293.05328 167.8
[M-H]- 269.05678 159.0
[M+NH4]+ 288.09788 171.5
[M+K]+ 309.02722 162.0
[M+H-H2O]+ 253.06132 150.5
[M+HCOO]- 315.06226 175.2
[M+CH3COO]- 329.07791 168.8
[M+Na-2H]- 291.03873 161.4
[M]+ 270.06351 157.4
[M]- 270.06461 157.4
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