CID 3013826

Oprea1_454055

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H12N2O3/c18-9-5-6-10(13(19)7-9)14(20)8-15-16-11-3-1-2-4-12(11)17-15/h1-7,18-19H,8H2,(H,16,17)
InChIKey
UVGPISSNCGPPFZ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 158.7
[M+Na]+ 291.07400 168.3
[M-H]- 267.07750 161.0
[M+NH4]+ 286.11860 173.3
[M+K]+ 307.04794 162.3
[M+H-H2O]+ 251.08204 151.1
[M+HCOO]- 313.08298 177.4
[M+CH3COO]- 327.09863 170.0
[M+Na-2H]- 289.05945 163.1
[M]+ 268.08423 158.9
[M]- 268.08533 158.9
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

No patent data available for this compound.