CID 217069

Brn 0999366

Structural Information

Molecular Formula
C6H11N2O3PS3
SMILES
COC1=NN=C(S1)CSP(=S)(OC)OC
InChI
InChI=1S/C6H11N2O3PS3/c1-9-6-8-7-5(15-6)4-14-12(13,10-2)11-3/h4H2,1-3H3
InChIKey
CJAKFTFPGLAECP-UHFFFAOYSA-N
Compound name
dimethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.96695 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97423 151.0
[M+Na]+ 308.95617 160.0
[M-H]- 284.95967 150.8
[M+NH4]+ 304.00077 167.1
[M+K]+ 324.93011 156.2
[M+H-H2O]+ 268.96421 142.5
[M+HCOO]- 330.96515 163.5
[M+CH3COO]- 344.98080 195.4
[M+Na-2H]- 306.94162 148.8
[M]+ 285.96640 157.2
[M]- 285.96750 157.2
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.