CID 3074198

Coumarin, 7-(2-imidazol-1-ylethoxy)-4-methyl-

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3C=CN=C3
InChI
InChI=1S/C15H14N2O3/c1-11-8-15(18)20-14-9-12(2-3-13(11)14)19-7-6-17-5-4-16-10-17/h2-5,8-10H,6-7H2,1H3
InChIKey
FEUVGMYTAUWITK-UHFFFAOYSA-N
Compound name
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 158.7
[M+Na]+ 293.08965 175.0
[M+NH4]+ 288.13425 166.4
[M+K]+ 309.06359 169.5
[M-H]- 269.09315 163.3
[M+Na-2H]- 291.07510 166.9
[M]+ 270.09988 162.4
[M]- 270.10098 162.4
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

No patent data available for this compound.