CID 135501994

Nsc 102203

Structural Information

Molecular Formula
C12H8N2OS2
SMILES
C1=CC=C2C(=C1)/C(=C\C3=C(NC(=S)S3)O)/C=N2
InChI
InChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5-
InChIKey
TZMYVTIZPGJYJU-ALCCZGGFSA-N
Compound name
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6
Patents

260.0078 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01508 154.7
[M+Na]+ 282.99702 167.8
[M-H]- 259.00052 158.9
[M+NH4]+ 278.04162 174.1
[M+K]+ 298.97096 160.3
[M+H-H2O]+ 243.00506 150.5
[M+HCOO]- 305.00600 166.5
[M+CH3COO]- 319.02165 167.3
[M+Na-2H]- 280.98247 153.7
[M]+ 260.00725 156.6
[M]- 260.00835 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe