CID 20514820

2-[(aminocarbamothioyl)amino]acetamide

Structural Information

Molecular Formula
C3H8N4OS
SMILES
C(C(=O)N)NC(=S)NN
InChI
InChI=1S/C3H8N4OS/c4-2(8)1-6-3(9)7-5/h1,5H2,(H2,4,8)(H2,6,7,9)
InChIKey
NRYGDHODMXPWAQ-UHFFFAOYSA-N
Compound name
2-(aminocarbamothioylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

148.04189 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04917 128.2
[M+Na]+ 171.03111 133.2
[M-H]- 147.03461 127.6
[M+NH4]+ 166.07571 147.6
[M+K]+ 187.00505 131.5
[M+H-H2O]+ 131.03915 121.6
[M+HCOO]- 193.04009 148.2
[M+CH3COO]- 207.05574 181.3
[M+Na-2H]- 169.01656 130.1
[M]+ 148.04134 123.4
[M]- 148.04244 123.4
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

patents stripe