CID 71755663

Imidazo[1,2-a]pyridine-3-carbothioamide

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC2=NC=C(N2C=C1)C(=S)N
InChI
InChI=1S/C8H7N3S/c9-8(12)6-5-10-7-3-1-2-4-11(6)7/h1-5H,(H2,9,12)
InChIKey
VIPNMBHAQAOKBD-UHFFFAOYSA-N
Compound name
imidazo[1,2-a]pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.03607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.043346 133.3
[M+Na]+ 200.025288 144.5
[M-H]- 176.028794 135.9
[M+NH4]+ 195.069893 154.1
[M+K]+ 215.999228 140.4
[M+H-H2O]+ 160.033330 127.0
[M+HCOO]- 222.034271 152.3
[M+CH3COO]- 236.049921 147.2
[M+Na-2H]- 198.010736 138.1
[M]+ 177.03552142 134.8
[M]- 177.03661858 134.8
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

patents stripe