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 167.9
[M+Na]+ 372.98745 178.6
[M-H]- 348.99095 169.3
[M+NH4]+ 368.03205 181.8
[M+K]+ 388.96139 173.7
[M+H-H2O]+ 332.99549 159.8
[M+HCOO]- 394.99643 180.2
[M+CH3COO]- 409.01208 207.1
[M+Na-2H]- 370.97290 167.7
[M]+ 349.99768 176.0
[M]- 349.99878 176.0
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.