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]+ 387.122696 190.9
[M+Na]+ 409.104638 198.1
[M-H]- 385.108144 201.1
[M+NH4]+ 404.149243 200.4
[M+K]+ 425.078578 194.8
[M+H-H2O]+ 369.112680 180.7
[M+HCOO]- 431.113621 209.3
[M+CH3COO]- 445.129271 200.9
[M+Na-2H]- 407.090086 194.0
[M]+ 386.11487142 193.9
[M]- 386.11596858 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.