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]+ 259.98108 151.0
[M+Na]+ 281.96302 163.9
[M-H]- 257.96652 153.2
[M+NH4]+ 277.00762 170.1
[M+K]+ 297.93696 157.0
[M+H-H2O]+ 241.97106 146.1
[M+HCOO]- 303.97200 159.6
[M+CH3COO]- 317.98765 163.7
[M+Na-2H]- 279.94847 152.4
[M]+ 258.97325 156.1
[M]- 258.97435 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.