CID 170351

Antienite

Structural Information

Molecular Formula
C9H8N2S2
SMILES
C1C(N=C2N1C=CS2)C3=CC=CS3
InChI
InChI=1S/C9H8N2S2/c1-2-8(12-4-1)7-6-11-3-5-13-9(11)10-7/h1-5,7H,6H2
InChIKey
RFOLEEQBNNSICL-UHFFFAOYSA-N
Compound name
6-thiophen-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

208.0129 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.020176 142.8
[M+Na]+ 231.002118 155.5
[M-H]- 207.005624 149.8
[M+NH4]+ 226.046723 167.2
[M+K]+ 246.976058 153.0
[M+H-H2O]+ 191.010160 138.7
[M+HCOO]- 253.011101 157.8
[M+CH3COO]- 267.026751 157.4
[M+Na-2H]- 228.987566 141.2
[M]+ 208.01235142 146.5
[M]- 208.01344858 146.5
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