CID 3075262

2-(3-methoxy-2-phenylchromon-6-yl)butanoic acid

Structural Information

Molecular Formula
C20H18O5
SMILES
CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C20H18O5/c1-3-14(20(22)23)13-9-10-16-15(11-13)17(21)19(24-2)18(25-16)12-7-5-4-6-8-12/h4-11,14H,3H2,1-2H3,(H,22,23)
InChIKey
HGJXWKWXYVMZBF-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-oxo-2-phenylchromen-6-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 176.6
[M+Na]+ 361.10464 191.7
[M+NH4]+ 356.14924 183.5
[M+K]+ 377.07858 185.4
[M-H]- 337.10814 181.5
[M+Na-2H]- 359.09009 183.2
[M]+ 338.11487 180.2
[M]- 338.11597 180.2
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.