CID 3075262

173469-87-9

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 177.3
[M+Na]+ 361.10464 185.3
[M-H]- 337.10814 184.7
[M+NH4]+ 356.14924 189.6
[M+K]+ 377.07858 182.9
[M+H-H2O]+ 321.11268 168.9
[M+HCOO]- 383.11362 196.1
[M+CH3COO]- 397.12927 211.0
[M+Na-2H]- 359.09009 180.4
[M]+ 338.11487 182.0
[M]- 338.11597 182.0
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.