CID 215351

Brn 1085316

Structural Information

Molecular Formula
C11H15N2O3PS3
SMILES
CCOP(=S)(OCC)SCN1C2=C(C=CC=N2)OC1=S
InChI
InChI=1S/C11H15N2O3PS3/c1-3-14-17(19,15-4-2)20-8-13-10-9(16-11(13)18)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKey
SVTJXZCWEFYSRZ-UHFFFAOYSA-N
Compound name
3-(diethoxyphosphinothioylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.99823 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00551 170.4
[M+Na]+ 372.98745 180.6
[M+NH4]+ 368.03205 177.1
[M+K]+ 388.96139 172.0
[M-H]- 348.99095 171.4
[M+Na-2H]- 370.97290 171.9
[M]+ 349.99768 173.4
[M]- 349.99878 173.4
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.