CID 355692

Nsc609801

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=CC=C(C=C1)CC2=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/h4-7,9-11H,8H2,1-3H3
InChIKey
MROUWQSRATXRIH-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.7
[M+Na]+ 349.10464 184.0
[M-H]- 325.10814 183.0
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 182.2
[M+H-H2O]+ 309.11268 165.0
[M+HCOO]- 371.11362 196.3
[M+CH3COO]- 385.12927 210.4
[M+Na-2H]- 347.09009 179.5
[M]+ 326.11487 182.2
[M]- 326.11597 182.2
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.