CID 5381709

7-hydroxy-5-methyl-4'-methoxyflavone

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C17H14O4/c1-10-7-12(18)8-16-17(10)14(19)9-15(21-16)11-3-5-13(20-2)6-4-11/h3-9,18H,1-2H3
InChIKey
MXUWRDXGCPTUKB-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(4-methoxyphenyl)-5-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

282.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.5
[M+Na]+ 305.07842 172.5
[M-H]- 281.08192 169.9
[M+NH4]+ 300.12302 177.0
[M+K]+ 321.05236 169.5
[M+H-H2O]+ 265.08646 153.9
[M+HCOO]- 327.08740 183.1
[M+CH3COO]- 341.10305 200.0
[M+Na-2H]- 303.06387 167.9
[M]+ 282.08865 166.2
[M]- 282.08975 166.2
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