CID 3024695

Propanamide, 3-(2,2-dimethyl-1-((2-propenylamino)thioxomethyl)hydrazino)-

Structural Information

Molecular Formula
C9H18N4OS
SMILES
CN(C)N(CCC(=O)N)C(=S)NCC=C
InChI
InChI=1S/C9H18N4OS/c1-4-6-11-9(15)13(12(2)3)7-5-8(10)14/h4H,1,5-7H2,2-3H3,(H2,10,14)(H,11,15)
InChIKey
TYDWDRDDSRMDPD-UHFFFAOYSA-N
Compound name
3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.12013 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.127406 155.7
[M+Na]+ 253.109348 158.7
[M-H]- 229.112854 157.5
[M+NH4]+ 248.153953 173.4
[M+K]+ 269.083288 158.2
[M+H-H2O]+ 213.117390 147.8
[M+HCOO]- 275.118331 175.5
[M+CH3COO]- 289.133981 205.7
[M+Na-2H]- 251.094796 154.3
[M]+ 230.11958142 156.0
[M]- 230.12067858 156.0
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.