CID 388101

22367-92-6

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC
InChI
InChI=1S/C17H14O4/c1-19-15-8-7-11(10-16(15)20-2)13-9-12-5-3-4-6-14(12)21-17(13)18/h3-10H,1-2H3
InChIKey
OIFPKNYYBNPHRA-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

282.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.2
[M+Na]+ 305.07842 171.7
[M-H]- 281.08192 170.5
[M+NH4]+ 300.12302 177.1
[M+K]+ 321.05236 169.5
[M+H-H2O]+ 265.08646 153.0
[M+HCOO]- 327.08740 184.3
[M+CH3COO]- 341.10305 201.1
[M+Na-2H]- 303.06387 168.7
[M]+ 282.08865 167.2
[M]- 282.08975 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.