CID 6449268

(?,e)-2,3-dihydro-6-methoxy-3-(3-phenyl-2-propenylidene)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C19H16O3
SMILES
COC1=CC2=C(C=C1)OC/C(=C/C=C/C3=CC=CC=C3)/C2=O
InChI
InChI=1S/C19H16O3/c1-21-16-10-11-18-17(12-16)19(20)15(13-22-18)9-5-8-14-6-3-2-4-7-14/h2-12H,13H2,1H3/b8-5+,15-9-
InChIKey
XEDXCCIPPOQHAP-OTLSHVCWSA-N
Compound name
(3Z)-6-methoxy-3-[(E)-3-phenylprop-2-enylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.4
[M+Na]+ 315.09917 182.9
[M+NH4]+ 310.14377 175.9
[M+K]+ 331.07311 173.9
[M-H]- 291.10267 173.6
[M+Na-2H]- 313.08462 174.8
[M]+ 292.10940 171.5
[M]- 292.11050 171.5
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.