CID 15730557

3'-hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)OC3=C2C(=CC(=C3OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-13-6-5-10(7-12(13)20)11-8-16(21)26-19-17(11)14(23-2)9-15(24-3)18(19)25-4/h5-9,20H,1-4H3
InChIKey
SLFKJURBMBVJDK-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-4-methoxyphenyl)-5,7,8-trimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

358.10526 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 179.5
[M+Na]+ 381.09448 190.4
[M-H]- 357.09798 188.1
[M+NH4]+ 376.13908 192.0
[M+K]+ 397.06842 189.6
[M+H-H2O]+ 341.10252 170.8
[M+HCOO]- 403.10346 200.6
[M+CH3COO]- 417.11911 215.4
[M+Na-2H]- 379.07993 183.7
[M]+ 358.10471 189.9
[M]- 358.10581 189.9
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

patents stripe