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]+ 231.12741 155.7
[M+Na]+ 253.10935 158.7
[M-H]- 229.11285 157.5
[M+NH4]+ 248.15395 173.4
[M+K]+ 269.08329 158.2
[M+H-H2O]+ 213.11739 147.8
[M+HCOO]- 275.11833 175.5
[M+CH3COO]- 289.13398 205.7
[M+Na-2H]- 251.09480 154.3
[M]+ 230.11958 156.0
[M]- 230.12068 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.