CID 372421

Nsc647470

Structural Information

Molecular Formula
C20H18O7
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)OC
InChI
InChI=1S/C20H18O7/c1-23-14-9-11(10-15(24-2)19(14)25-3)18-16(20(22)26-4)17(21)12-7-5-6-8-13(12)27-18/h5-10H,1-4H3
InChIKey
RUJGLXSZNDOIME-UHFFFAOYSA-N
Compound name
methyl 4-oxo-2-(3,4,5-trimethoxyphenyl)chromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.10526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 182.4
[M+Na]+ 393.09448 192.5
[M-H]- 369.09798 191.9
[M+NH4]+ 388.13908 194.7
[M+K]+ 409.06842 192.2
[M+H-H2O]+ 353.10252 173.3
[M+HCOO]- 415.10346 204.0
[M+CH3COO]- 429.11911 218.8
[M+Na-2H]- 391.07993 186.1
[M]+ 370.10471 193.1
[M]- 370.10581 193.1
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.