CID 6479239

Chembl1766552

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C(=CC(=C3)OC)OC
InChI
InChI=1S/C19H18O5/c1-21-14-6-4-12(5-7-14)8-13-11-24-17-10-15(22-2)9-16(23-3)18(17)19(13)20/h4-10H,11H2,1-3H3/b13-8+
InChIKey
LUFZBDDWHFDURP-MDWZMJQESA-N
Compound name
(3E)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

326.11542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.9
[M+Na]+ 349.10464 182.5
[M-H]- 325.10814 182.4
[M+NH4]+ 344.14924 187.9
[M+K]+ 365.07858 180.4
[M+H-H2O]+ 309.11268 165.4
[M+HCOO]- 371.11362 193.8
[M+CH3COO]- 385.12927 209.8
[M+Na-2H]- 347.09009 177.8
[M]+ 326.11487 178.8
[M]- 326.11597 178.8
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

patents stripe