CID 215349

Gs 38781

Structural Information

Molecular Formula
C11H15N2O4PS2
SMILES
CCOP(=S)(OCC)SCN1C2=C(C=CC=N2)OC1=O
InChI
InChI=1S/C11H15N2O4PS2/c1-3-15-18(19,16-4-2)20-8-13-10-9(17-11(13)14)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKey
FSIUCQCWLNQEJC-UHFFFAOYSA-N
Compound name
3-(diethoxyphosphinothioylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0211 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02838 170.0
[M+Na]+ 357.01032 180.7
[M+NH4]+ 352.05492 176.0
[M+K]+ 372.98426 174.2
[M-H]- 333.01382 170.4
[M+Na-2H]- 354.99577 172.1
[M]+ 334.02055 172.4
[M]- 334.02165 172.4
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.