CID 13670206

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

Structural Information

Molecular Formula
C7H16N4OS
SMILES
CNC(=S)N(CCC(=O)N)N(C)C
InChI
InChI=1S/C7H16N4OS/c1-9-7(13)11(10(2)3)5-4-6(8)12/h4-5H2,1-3H3,(H2,8,12)(H,9,13)
InChIKey
ZMGMEXDJVUDVDR-UHFFFAOYSA-N
Compound name
3-[dimethylamino(methylcarbamothioyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.10448 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11176 147.9
[M+Na]+ 227.09370 151.5
[M-H]- 203.09720 150.2
[M+NH4]+ 222.13830 166.8
[M+K]+ 243.06764 152.1
[M+H-H2O]+ 187.10174 140.3
[M+HCOO]- 249.10268 168.2
[M+CH3COO]- 263.11833 200.7
[M+Na-2H]- 225.07915 147.5
[M]+ 204.10393 148.2
[M]- 204.10503 148.2
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