CID 54688532

4-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]chromen-2-one

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=CC=C(C=C1)CC2=C(C3=C(C=C(C=C3)OC)OC2=O)O
InChI
InChI=1S/C18H16O5/c1-21-12-5-3-11(4-6-12)9-15-17(19)14-8-7-13(22-2)10-16(14)23-18(15)20/h3-8,10,19H,9H2,1-2H3
InChIKey
KCKLHRBSJQDUBF-UHFFFAOYSA-N
Compound name
4-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.3
[M+Na]+ 335.08898 179.6
[M-H]- 311.09248 177.4
[M+NH4]+ 330.13358 183.4
[M+K]+ 351.06292 177.1
[M+H-H2O]+ 295.09702 161.1
[M+HCOO]- 357.09796 190.7
[M+CH3COO]- 371.11361 205.2
[M+Na-2H]- 333.07443 175.2
[M]+ 312.09921 175.7
[M]- 312.10031 175.7
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.