CID 5357627

5219-16-9

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H14O4/c1-10-14-8-5-12(18)9-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKey
MJQHCKOMFMGCQG-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-methoxyphenyl)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

20
Patents

282.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.4
[M+Na]+ 305.07842 178.7
[M+NH4]+ 300.12302 170.0
[M+K]+ 321.05236 171.2
[M-H]- 281.08192 167.7
[M+Na-2H]- 303.06387 169.8
[M]+ 282.08865 166.0
[M]- 282.08975 166.0
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

patents stripe