CID 6449189

130688-89-0

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=CC2=C(C=C1)OC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=O
InChI
InChI=1S/C19H18O5/c1-21-14-5-7-16-15(10-14)19(20)13(11-24-16)8-12-4-6-17(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3/b13-8+
InChIKey
LKNQAOXZCFPRFA-MDWZMJQESA-N
Compound name
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.122696 173.9
[M+Na]+ 349.104638 182.5
[M-H]- 325.108144 182.4
[M+NH4]+ 344.149243 187.9
[M+K]+ 365.078578 180.4
[M+H-H2O]+ 309.112680 165.4
[M+HCOO]- 371.113621 193.8
[M+CH3COO]- 385.129271 209.8
[M+Na-2H]- 347.090086 177.8
[M]+ 326.11487142 178.8
[M]- 326.11596858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.