CID 73233

(2-amino-1,3-thiazol-4-yl)methyl imidothiocarbamate dihydrochloride

Structural Information

Molecular Formula
C5H8N4S2
SMILES
C1=C(N=C(S1)N)CSC(=N)N
InChI
InChI=1S/C5H8N4S2/c6-4(7)10-1-3-2-11-5(8)9-3/h2H,1H2,(H3,6,7)(H2,8,9)
InChIKey
ZJOZQGURSDEMQX-UHFFFAOYSA-N
Compound name
(2-amino-1,3-thiazol-4-yl)methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

45
Patents

188.01904 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02632 134.3
[M+Na]+ 211.00826 142.2
[M-H]- 187.01176 135.8
[M+NH4]+ 206.05286 153.7
[M+K]+ 226.98220 137.5
[M+H-H2O]+ 171.01630 127.5
[M+HCOO]- 233.01724 148.8
[M+CH3COO]- 247.03289 184.6
[M+Na-2H]- 208.99371 134.5
[M]+ 188.01849 131.7
[M]- 188.01959 131.7
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