CID 3080359

Propanethioamide, n-methyl-3-((2-(phosphonothio)ethyl)amino)-, lithium salt, hydrate, (2:2:3)

Structural Information

Molecular Formula
C6H15N2O3PS2
SMILES
CNC(=S)CCNCCSP(=O)(O)O
InChI
InChI=1S/C6H15N2O3PS2/c1-7-6(13)2-3-8-4-5-14-12(9,10)11/h8H,2-5H2,1H3,(H,7,13)(H2,9,10,11)
InChIKey
YXNRCBPSYMKGFR-UHFFFAOYSA-N
Compound name
2-[[3-(methylamino)-3-sulfanylidenepropyl]amino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.02618 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03346 153.2
[M+Na]+ 281.01540 156.5
[M+NH4]+ 276.06000 157.9
[M+K]+ 296.98934 151.1
[M-H]- 257.01890 150.0
[M+Na-2H]- 279.00085 152.0
[M]+ 258.02563 152.9
[M]- 258.02673 152.9
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.