CID 12004232

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

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C(=CC(=C3)OC)OC
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-17(19)23-16-9-13(21-2)8-15(22-3)18(14)16/h4-10H,1-3H3
InChIKey
LUAQJOITTQBGCV-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

312.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 168.9
[M+Na]+ 335.08898 179.6
[M-H]- 311.09248 178.4
[M+NH4]+ 330.13358 183.8
[M+K]+ 351.06292 178.1
[M+H-H2O]+ 295.09702 160.4
[M+HCOO]- 357.09796 191.8
[M+CH3COO]- 371.11361 207.5
[M+Na-2H]- 333.07443 175.2
[M]+ 312.09921 177.1
[M]- 312.10031 177.1
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