CID 1524007

438458-81-2

Structural Information

Molecular Formula
C15H14N2O2S2
SMILES
CC(C)CN1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O
InChI
InChI=1S/C15H14N2O2S2/c1-8(2)7-17-14(19)12(21-15(17)20)11-9-5-3-4-6-10(9)16-13(11)18/h3-6,8,19H,7H2,1-2H3
InChIKey
GHYSRLNYFQPDBD-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.04968 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05696 172.6
[M+Na]+ 341.03890 185.5
[M+NH4]+ 336.08350 180.5
[M+K]+ 357.01284 178.7
[M-H]- 317.04240 175.1
[M+Na-2H]- 339.02435 176.6
[M]+ 318.04913 176.1
[M]- 318.05023 176.1
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

patents stripe