CID 14283883

7,3'-dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)OC3=C2C(=C(C(=C3)O)C=O)OC)O
InChI
InChI=1S/C18H14O7/c1-23-14-4-3-9(5-13(14)21)10-6-16(22)25-15-7-12(20)11(8-19)18(24-2)17(10)15/h3-8,20-21H,1-2H3
InChIKey
FCLXJEVYUOSEMG-UHFFFAOYSA-N
Compound name
7-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-5-methoxy-2-oxochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07394 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.9
[M+Na]+ 365.06316 185.2
[M-H]- 341.06666 181.4
[M+NH4]+ 360.10776 186.3
[M+K]+ 381.03710 183.2
[M+H-H2O]+ 325.07120 165.8
[M+HCOO]- 387.07214 194.1
[M+CH3COO]- 401.08779 209.7
[M+Na-2H]- 363.04861 178.3
[M]+ 342.07339 181.6
[M]- 342.07449 181.6
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.