CID 5381484

5-(benzyloxy)-7-hydroxy-4-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=CC(=O)OC2=C1C(=CC(=C2)O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-11-7-16(19)21-15-9-13(18)8-14(17(11)15)20-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
InChIKey
RFZORYYIOWTIPH-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-5-phenylmethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.5
[M+Na]+ 305.078418 171.6
[M-H]- 281.081924 169.5
[M+NH4]+ 300.123023 176.7
[M+K]+ 321.052358 168.5
[M+H-H2O]+ 265.086460 153.7
[M+HCOO]- 327.087401 183.2
[M+CH3COO]- 341.103051 198.7
[M+Na-2H]- 303.063866 168.6
[M]+ 282.08865142 165.7
[M]- 282.08974858 165.7
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.