CID 3074199

Coumarin, 7-(2-(1-benzimidazolyl)ethoxy)-

Structural Information

Molecular Formula
C18H14N2O3
SMILES
C1=CC=C2C(=C1)N=CN2CCOC3=CC4=C(C=C3)C=CC(=O)O4
InChI
InChI=1S/C18H14N2O3/c21-18-8-6-13-5-7-14(11-17(13)23-18)22-10-9-20-12-19-15-3-1-2-4-16(15)20/h1-8,11-12H,9-10H2
InChIKey
WOOGVKZQDMRNDR-UHFFFAOYSA-N
Compound name
7-[2-(benzimidazol-1-yl)ethoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.10043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 168.2
[M+Na]+ 329.08965 179.5
[M-H]- 305.09315 175.6
[M+NH4]+ 324.13425 182.7
[M+K]+ 345.06359 175.1
[M+H-H2O]+ 289.09769 158.7
[M+HCOO]- 351.09863 189.9
[M+CH3COO]- 365.11428 180.8
[M+Na-2H]- 327.07510 176.2
[M]+ 306.09988 174.4
[M]- 306.10098 174.4
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

No patent data available for this compound.