CID 5482494

5,7-dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one

Structural Information

Molecular Formula
C17H14O5
SMILES
CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3OC)O
InChI
InChI=1S/C17H14O5/c1-9-12(18)7-14-15(16(9)19)17(20)11(8-22-14)10-5-3-4-6-13(10)21-2/h3-8,18-19H,1-2H3
InChIKey
MNTFQBBYPKFUJE-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

298.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.091416 165.0
[M+Na]+ 321.073358 176.2
[M-H]- 297.076864 172.4
[M+NH4]+ 316.117963 179.3
[M+K]+ 337.047298 173.3
[M+H-H2O]+ 281.081400 157.5
[M+HCOO]- 343.082341 185.2
[M+CH3COO]- 357.097991 201.3
[M+Na-2H]- 319.058806 170.3
[M]+ 298.08359142 169.8
[M]- 298.08468858 169.8
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