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 178.9
[M+Na]+ 369.07018 192.0
[M-H]- 345.07368 184.5
[M+NH4]+ 364.11478 195.8
[M+K]+ 385.04412 184.5
[M+H-H2O]+ 329.07822 173.7
[M+HCOO]- 391.07916 191.8
[M+CH3COO]- 405.09481 190.7
[M+Na-2H]- 367.05563 175.7
[M]+ 346.08041 187.4
[M]- 346.08151 187.4
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.