CID 54711775

4-hydroxy-3-phenethylsulfanyl-5h-indeno[1,2-b]pyran-2-one

Structural Information

Molecular Formula
C20H16O3S
SMILES
C1C2=CC=CC=C2C3=C1C(=C(C(=O)O3)SCCC4=CC=CC=C4)O
InChI
InChI=1S/C20H16O3S/c21-17-16-12-14-8-4-5-9-15(14)18(16)23-20(22)19(17)24-11-10-13-6-2-1-3-7-13/h1-9,21H,10-12H2
InChIKey
CIJGMLGKTSUMBH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2-phenylethylsulfanyl)-5H-indeno[1,2-b]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.082 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08928 175.7
[M+Na]+ 359.07122 186.4
[M-H]- 335.07472 184.6
[M+NH4]+ 354.11582 192.4
[M+K]+ 375.04516 181.0
[M+H-H2O]+ 319.07926 169.5
[M+HCOO]- 381.08020 192.2
[M+CH3COO]- 395.09585 187.9
[M+Na-2H]- 357.05667 179.2
[M]+ 336.08145 181.8
[M]- 336.08255 181.8
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.