CID 6444482

2,3-dihydro-7-methoxy-3-((4-methoxyphenyl)methylene)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C18H16O4
SMILES
COC1=CC=C(C=C1)/C=C\2/COC3=C(C2=O)C=CC(=C3)OC
InChI
InChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-10-15(21-2)7-8-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9-
InChIKey
JSIHERQFDBWWJU-LCYFTJDESA-N
Compound name
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.3
[M+Na]+ 319.09408 174.7
[M-H]- 295.09758 174.7
[M+NH4]+ 314.13868 181.4
[M+K]+ 335.06802 172.0
[M+H-H2O]+ 279.10212 158.2
[M+HCOO]- 341.10306 186.5
[M+CH3COO]- 355.11871 203.3
[M+Na-2H]- 317.07953 171.4
[M]+ 296.10431 169.0
[M]- 296.10541 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.