CID 2894657

[(8-methyl-2-oxo-4-phenyl-2h-chromen-7-yl)oxy](phenyl)acetic acid

Structural Information

Molecular Formula
C24H18O5
SMILES
CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C24H18O5/c1-15-20(28-23(24(26)27)17-10-6-3-7-11-17)13-12-18-19(14-21(25)29-22(15)18)16-8-4-2-5-9-16/h2-14,23H,1H3,(H,26,27)
InChIKey
BGEVOTWGOHBDHG-UHFFFAOYSA-N
Compound name
2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

386.11542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12270 190.9
[M+Na]+ 409.10464 198.1
[M-H]- 385.10814 201.1
[M+NH4]+ 404.14924 200.4
[M+K]+ 425.07858 194.8
[M+H-H2O]+ 369.11268 180.7
[M+HCOO]- 431.11362 209.3
[M+CH3COO]- 445.12927 200.9
[M+Na-2H]- 407.09009 194.0
[M]+ 386.11487 193.9
[M]- 386.11597 193.9
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.