CID 217077

Brn 1019404

Structural Information

Molecular Formula
C10H19N2O5PS2
SMILES
CCOP(=O)(OCC)SCC1=NN=C(S1)OCCOC
InChI
InChI=1S/C10H19N2O5PS2/c1-4-16-18(13,17-5-2)19-8-9-11-12-10(20-9)15-7-6-14-3/h4-8H2,1-3H3
InChIKey
FVFPCDZAXAXLTM-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-5-(2-methoxyethoxy)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0473 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05458 169.6
[M+Na]+ 365.03652 176.3
[M-H]- 341.04002 169.1
[M+NH4]+ 360.08112 183.4
[M+K]+ 381.01046 174.6
[M+H-H2O]+ 325.04456 159.9
[M+HCOO]- 387.04550 186.9
[M+CH3COO]- 401.06115 205.6
[M+Na-2H]- 363.02197 167.5
[M]+ 342.04675 181.0
[M]- 342.04785 181.0
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.