CID 5310624

7-hydroxy-2-methyl-3-(2-methylphenyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)C
InChI
InChI=1S/C17H14O3/c1-10-5-3-4-6-13(10)16-11(2)20-15-9-12(18)7-8-14(15)17(16)19/h3-9,18H,1-2H3
InChIKey
ZGYGAINWBYACRH-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-3-(2-methylphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 158.2
[M+Na]+ 289.08352 169.4
[M-H]- 265.08702 166.6
[M+NH4]+ 284.12812 174.5
[M+K]+ 305.05746 165.8
[M+H-H2O]+ 249.09156 150.9
[M+HCOO]- 311.09250 179.7
[M+CH3COO]- 325.10815 171.7
[M+Na-2H]- 287.06897 164.6
[M]+ 266.09375 161.5
[M]- 266.09485 161.5
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.