CID 343854

Nsc400382

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
CC(=O)N1C(CSC1=N)C(=O)N
InChI
InChI=1S/C6H9N3O2S/c1-3(10)9-4(5(7)11)2-12-6(9)8/h4,8H,2H2,1H3,(H2,7,11)
InChIKey
HANRBAQKVGSKHL-UHFFFAOYSA-N
Compound name
3-acetyl-2-imino-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 139.4
[M+Na]+ 210.03077 146.3
[M-H]- 186.03427 141.4
[M+NH4]+ 205.07537 159.1
[M+K]+ 226.00471 144.3
[M+H-H2O]+ 170.03881 133.2
[M+HCOO]- 232.03975 156.2
[M+CH3COO]- 246.05540 183.6
[M+Na-2H]- 208.01622 137.8
[M]+ 187.04100 136.4
[M]- 187.04210 136.4
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.