CID 746413

7-methoxy-3-(4-methoxyphenyl)-2-methyl-4h-chromen-4-one

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16O4/c1-11-17(12-4-6-13(20-2)7-5-12)18(19)15-9-8-14(21-3)10-16(15)22-11/h4-10H,1-3H3
InChIKey
QHMHKLMWWCUVOU-UHFFFAOYSA-N
Compound name
7-methoxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 165.9
[M+Na]+ 319.094078 176.8
[M-H]- 295.097584 175.4
[M+NH4]+ 314.138683 181.5
[M+K]+ 335.068018 174.5
[M+H-H2O]+ 279.102120 157.7
[M+HCOO]- 341.103061 188.6
[M+CH3COO]- 355.118711 205.3
[M+Na-2H]- 317.079526 172.1
[M]+ 296.10431142 172.6
[M]- 296.10540858 172.6
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.