CID 51682

4h-1-benzopyran-6-carboxylic acid, 3-isopropoxy-2-(p-methoxyphenyl)-4-oxo-, sodium salt

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(C)OC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18O6/c1-11(2)25-19-17(21)15-10-13(20(22)23)6-9-16(15)26-18(19)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H,22,23)
InChIKey
MMLQCHMMXJUGBX-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-oxo-3-propan-2-yloxychromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.117626 179.8
[M+Na]+ 377.099568 188.5
[M-H]- 353.103074 187.6
[M+NH4]+ 372.144173 191.7
[M+K]+ 393.073508 187.0
[M+H-H2O]+ 337.107610 171.3
[M+HCOO]- 399.108551 198.8
[M+CH3COO]- 413.124201 214.6
[M+Na-2H]- 375.085016 182.4
[M]+ 354.10980142 186.4
[M]- 354.11089858 186.4
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.