CID 3038063

15918-04-4

Structural Information

Molecular Formula
C8H19N2O3PS2
SMILES
CCN(CC(C)O)C(=S)NP(=S)(OC)OC
InChI
InChI=1S/C8H19N2O3PS2/c1-5-10(6-7(2)11)8(15)9-14(16,12-3)13-4/h7,11H,5-6H2,1-4H3,(H,9,15,16)
InChIKey
YRVAFQUBJSGTBM-UHFFFAOYSA-N
Compound name
3-dimethoxyphosphinothioyl-1-ethyl-1-(2-hydroxypropyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05746 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06474 162.2
[M+Na]+ 309.04668 165.6
[M+NH4]+ 304.09128 167.1
[M+K]+ 325.02062 160.7
[M-H]- 285.05018 159.6
[M+Na-2H]- 307.03213 161.2
[M]+ 286.05691 162.2
[M]- 286.05801 162.2
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

No patent data available for this compound.