CID 217087

Brn 1012149

Structural Information

Molecular Formula
C10H19N2O3PS3
SMILES
CCOP(=O)(OCC)SCC1=NN=C(S1)SC(C)C
InChI
InChI=1S/C10H19N2O3PS3/c1-5-14-16(13,15-6-2)17-7-9-11-12-10(19-9)18-8(3)4/h8H,5-7H2,1-4H3
InChIKey
DIVMLIPDWPNYIW-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.02954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03682 167.1
[M+Na]+ 365.01876 174.0
[M-H]- 341.02226 166.2
[M+NH4]+ 360.06336 181.0
[M+K]+ 380.99270 169.8
[M+H-H2O]+ 325.02680 158.0
[M+HCOO]- 387.02774 177.4
[M+CH3COO]- 401.04339 207.3
[M+Na-2H]- 363.00421 162.8
[M]+ 342.02899 174.1
[M]- 342.03009 174.1
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.