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]+ 355.11763 179.8
[M+Na]+ 377.09957 188.5
[M-H]- 353.10307 187.6
[M+NH4]+ 372.14417 191.7
[M+K]+ 393.07351 187.0
[M+H-H2O]+ 337.10761 171.3
[M+HCOO]- 399.10855 198.8
[M+CH3COO]- 413.12420 214.6
[M+Na-2H]- 375.08502 182.4
[M]+ 354.10980 186.4
[M]- 354.11090 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.