CID 2771457

5-amino-n-methyl-1,2,3-thiadiazole-4-carbothioamide

Structural Information

Molecular Formula
C4H6N4S2
SMILES
CNC(=S)C1=C(SN=N1)N
InChI
InChI=1S/C4H6N4S2/c1-6-4(9)2-3(5)10-8-7-2/h5H2,1H3,(H,6,9)
InChIKey
FPJCBCUQMUQUDU-UHFFFAOYSA-N
Compound name
5-amino-N-methylthiadiazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00339 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01067 131.0
[M+Na]+ 196.99261 140.6
[M-H]- 172.99611 132.2
[M+NH4]+ 192.03721 150.5
[M+K]+ 212.96655 136.6
[M+H-H2O]+ 157.00065 124.5
[M+HCOO]- 219.00159 144.6
[M+CH3COO]- 233.01724 180.0
[M+Na-2H]- 194.97806 131.7
[M]+ 174.00284 130.4
[M]- 174.00394 130.4
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.