CID 3075257

173469-73-3

Structural Information

Molecular Formula
C20H18O4
SMILES
CCC(C1=CC2=C(C=C1)OC(=C(C2=O)C)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C20H18O4/c1-3-15(20(22)23)14-9-10-17-16(11-14)18(21)12(2)19(24-17)13-7-5-4-6-8-13/h4-11,15H,3H2,1-2H3,(H,22,23)
InChIKey
JRQJYDDMBXXMOR-UHFFFAOYSA-N
Compound name
2-(3-methyl-4-oxo-2-phenylchromen-6-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 174.2
[M+Na]+ 345.109718 182.5
[M-H]- 321.113224 181.7
[M+NH4]+ 340.154323 187.4
[M+K]+ 361.083658 179.4
[M+H-H2O]+ 305.117760 166.1
[M+HCOO]- 367.118701 192.9
[M+CH3COO]- 381.134351 208.8
[M+Na-2H]- 343.095166 177.3
[M]+ 322.11995142 177.5
[M]- 322.12104858 177.5
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.