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

literature stripe

Patent stripe

patents stripe