CID 5469192

Nsc684109

Structural Information

Molecular Formula
C11H9ClN2S2
SMILES
C1CSC2=NC(=C(N21)/C=C/C3=CC=CS3)Cl
InChI
InChI=1S/C11H9ClN2S2/c12-10-9(4-3-8-2-1-6-15-8)14-5-7-16-11(14)13-10/h1-4,6H,5,7H2/b4-3+
InChIKey
QEXUHMPMFQBPQQ-ONEGZZNKSA-N
Compound name
6-chloro-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.98956 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99684 160.2
[M+Na]+ 290.97878 174.5
[M-H]- 266.98228 167.5
[M+NH4]+ 286.02338 183.3
[M+K]+ 306.95272 169.2
[M+H-H2O]+ 250.98682 156.2
[M+HCOO]- 312.98776 171.2
[M+CH3COO]- 327.00341 174.1
[M+Na-2H]- 288.96423 157.0
[M]+ 267.98901 166.9
[M]- 267.99011 166.9
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.