CID 14078727

5-hydroxy-7-methoxy-8-methylflavanone

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C17H16O4/c1-10-14(20-2)8-12(18)16-13(19)9-15(21-17(10)16)11-6-4-3-5-7-11/h3-8,15,18H,9H2,1-2H3
InChIKey
SNHQMOIKQSCRFM-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.1
[M+Na]+ 307.09408 172.0
[M-H]- 283.09758 170.6
[M+NH4]+ 302.13868 178.3
[M+K]+ 323.06802 169.4
[M+H-H2O]+ 267.10212 155.6
[M+HCOO]- 329.10306 181.9
[M+CH3COO]- 343.11871 200.6
[M+Na-2H]- 305.07953 167.6
[M]+ 284.10431 164.9
[M]- 284.10541 164.9
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.