CID 1792488

858745-24-1

Structural Information

Molecular Formula
C25H18O5
SMILES
CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC5=CC=CC=C5C=C4)CCC(=O)O
InChI
InChI=1S/C25H18O5/c1-14-18(8-9-24(26)27)25(28)30-23-12-22-20(11-19(14)23)21(13-29-22)17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10-13H,8-9H2,1H3,(H,26,27)
InChIKey
LTQIRAVJFBRGBO-UHFFFAOYSA-N
Compound name
3-(5-methyl-3-naphthalen-2-yl-7-oxofuro[3,2-g]chromen-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.11542 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12270 192.5
[M+Na]+ 421.10464 211.5
[M+NH4]+ 416.14924 200.8
[M+K]+ 437.07858 204.7
[M-H]- 397.10814 200.8
[M+Na-2H]- 419.09009 199.2
[M]+ 398.11487 198.0
[M]- 398.11597 198.0
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.