CID 25134317

Anti-inflammatory agent 1

Structural Information

Molecular Formula
C17H16O3S
SMILES
CCSC1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H16O3S/c1-2-21-17-15(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-16(12)20-17/h3-10,17-19H,2H2,1H3
InChIKey
XXNXGFNAEVNSQA-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

300.082 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08928 165.7
[M+Na]+ 323.07122 174.3
[M-H]- 299.07472 171.8
[M+NH4]+ 318.11582 180.2
[M+K]+ 339.04516 169.7
[M+H-H2O]+ 283.07926 158.9
[M+HCOO]- 345.08020 179.3
[M+CH3COO]- 359.09585 176.9
[M+Na-2H]- 321.05667 169.2
[M]+ 300.08145 168.3
[M]- 300.08255 168.3
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.