CID 3463127

611185-77-4

Structural Information

Molecular Formula
C17H18N2O2S2
SMILES
CCCCCCN1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O
InChI
InChI=1S/C17H18N2O2S2/c1-2-3-4-7-10-19-16(21)14(23-17(19)22)13-11-8-5-6-9-12(11)18-15(13)20/h5-6,8-9,21H,2-4,7,10H2,1H3
InChIKey
JUSJRVSTCWMHJD-UHFFFAOYSA-N
Compound name
3-(3-hexyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08824 181.3
[M+Na]+ 369.07018 194.1
[M+NH4]+ 364.11478 188.9
[M+K]+ 385.04412 186.0
[M-H]- 345.07368 183.9
[M+Na-2H]- 367.05563 185.0
[M]+ 346.08041 184.8
[M]- 346.08151 184.8
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.