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

15
Patents

270.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.071336 157.5
[M+Na]+ 293.053278 167.8
[M-H]- 269.056784 159.0
[M+NH4]+ 288.097883 171.5
[M+K]+ 309.027218 162.0
[M+H-H2O]+ 253.061320 150.5
[M+HCOO]- 315.062261 175.2
[M+CH3COO]- 329.077911 168.8
[M+Na-2H]- 291.038726 161.4
[M]+ 270.06351142 157.4
[M]- 270.06460858 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