CID 2802537

52868-63-0

Structural Information

Molecular Formula
C4H5N3OS2
SMILES
C1(=C(SC(=S)N1)N)C(=O)N
InChI
InChI=1S/C4H5N3OS2/c5-2(8)1-3(6)10-4(9)7-1/h6H2,(H2,5,8)(H,7,9)
InChIKey
RATXLXUSEOETQE-UHFFFAOYSA-N
Compound name
5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

174.98741 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99469 131.1
[M+Na]+ 197.97663 140.7
[M-H]- 173.98013 131.8
[M+NH4]+ 193.02123 150.8
[M+K]+ 213.95057 135.2
[M+H-H2O]+ 157.98467 125.5
[M+HCOO]- 219.98561 143.9
[M+CH3COO]- 234.00126 177.3
[M+Na-2H]- 195.96208 129.9
[M]+ 174.98686 128.3
[M]- 174.98796 128.3
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.