CID 10336603

3'-hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)OC3=C2C(=CC(=C3)OC)OC)O
InChI
InChI=1S/C18H16O6/c1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10/h4-9,19H,1-3H3
InChIKey
KOAAZLIOOBKJEK-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

328.0947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.1
[M+Na]+ 351.08392 183.0
[M-H]- 327.08742 180.6
[M+NH4]+ 346.12852 185.7
[M+K]+ 367.05786 181.5
[M+H-H2O]+ 311.09196 163.8
[M+HCOO]- 373.09290 193.6
[M+CH3COO]- 387.10855 208.8
[M+Na-2H]- 349.06937 177.4
[M]+ 328.09415 180.4
[M]- 328.09525 180.4
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