CID 47003168

2-{6,8-dichloroimidazo[1,2-a]pyridin-2-yl}ethanethioamide

Structural Information

Molecular Formula
C9H7Cl2N3S
SMILES
C1=C(C2=NC(=CN2C=C1Cl)CC(=S)N)Cl
InChI
InChI=1S/C9H7Cl2N3S/c10-5-1-7(11)9-13-6(2-8(12)15)4-14(9)3-5/h1,3-4H,2H2,(H2,12,15)
InChIKey
CURPYPSEJIFOTB-UHFFFAOYSA-N
Compound name
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9738 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.981076 151.0
[M+Na]+ 281.963018 163.9
[M-H]- 257.966524 153.2
[M+NH4]+ 277.007623 170.1
[M+K]+ 297.936958 157.0
[M+H-H2O]+ 241.971060 146.1
[M+HCOO]- 303.972001 159.6
[M+CH3COO]- 317.987651 163.7
[M+Na-2H]- 279.948466 152.4
[M]+ 258.97325142 156.1
[M]- 258.97434858 156.1
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.