CID 217075

Brn 1011712

Structural Information

Molecular Formula
C8H15N2O4PS3
SMILES
COCCOC1=NN=C(S1)CSP(=S)(OC)OC
InChI
InChI=1S/C8H15N2O4PS3/c1-11-4-5-14-8-10-9-7(18-8)6-17-15(16,12-2)13-3/h4-6H2,1-3H3
InChIKey
FKEYXDGDMUSZTM-UHFFFAOYSA-N
Compound name
dimethoxy-[[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

329.99316 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00044 162.0
[M+Na]+ 352.98238 169.7
[M-H]- 328.98588 161.3
[M+NH4]+ 348.02698 176.2
[M+K]+ 368.95632 165.9
[M+H-H2O]+ 312.99042 153.0
[M+HCOO]- 374.99136 174.2
[M+CH3COO]- 389.00701 202.9
[M+Na-2H]- 350.96783 159.6
[M]+ 329.99261 170.0
[M]- 329.99371 170.0
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.