CID 325653

4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C5H7N3OS2
SMILES
CSC1=NC(=C(S1)C(=O)N)N
InChI
InChI=1S/C5H7N3OS2/c1-10-5-8-3(6)2(11-5)4(7)9/h6H2,1H3,(H2,7,9)
InChIKey
UPCLRMIUWNNJBW-UHFFFAOYSA-N
Compound name
4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

189.00305 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01033 135.1
[M+Na]+ 211.99227 144.5
[M-H]- 187.99577 137.1
[M+NH4]+ 207.03687 155.0
[M+K]+ 227.96621 140.3
[M+H-H2O]+ 172.00031 129.1
[M+HCOO]- 234.00125 149.0
[M+CH3COO]- 248.01690 183.4
[M+Na-2H]- 209.97772 134.0
[M]+ 189.00250 135.1
[M]- 189.00360 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe