CID 217076

Brn 1019405

Structural Information

Molecular Formula
C10H19N2O4PS3
SMILES
CCOP(=S)(OCC)SCC1=NN=C(S1)OCCOC
InChI
InChI=1S/C10H19N2O4PS3/c1-4-15-17(18,16-5-2)19-8-9-11-12-10(20-9)14-7-6-13-3/h4-8H2,1-3H3
InChIKey
JBBRGQBLAQEHGB-UHFFFAOYSA-N
Compound name
diethoxy-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.02444 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03172 169.9
[M+Na]+ 381.01366 176.7
[M-H]- 357.01716 168.9
[M+NH4]+ 376.05826 183.1
[M+K]+ 396.98760 172.5
[M+H-H2O]+ 341.02170 160.5
[M+HCOO]- 403.02264 181.5
[M+CH3COO]- 417.03829 208.5
[M+Na-2H]- 378.99911 166.8
[M]+ 358.02389 178.6
[M]- 358.02499 178.6
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.