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

0
Patents

177.03607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 133.3
[M+Na]+ 200.02529 144.5
[M-H]- 176.02879 135.9
[M+NH4]+ 195.06989 154.1
[M+K]+ 215.99923 140.4
[M+H-H2O]+ 160.03333 127.0
[M+HCOO]- 222.03427 152.3
[M+CH3COO]- 236.04992 147.2
[M+Na-2H]- 198.01074 138.1
[M]+ 177.03552 134.8
[M]- 177.03662 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

No patent data available for this compound.