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]+ 297.11214 165.9
[M+Na]+ 319.09408 176.8
[M-H]- 295.09758 175.4
[M+NH4]+ 314.13868 181.5
[M+K]+ 335.06802 174.5
[M+H-H2O]+ 279.10212 157.7
[M+HCOO]- 341.10306 188.6
[M+CH3COO]- 355.11871 205.3
[M+Na-2H]- 317.07953 172.1
[M]+ 296.10431 172.6
[M]- 296.10541 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.