CID 161878

Cga 10279

Structural Information

Molecular Formula
C10H12ClN2O3PS2
SMILES
CCOP(=S)(C)SCN1C2=C(C=C(C=N2)Cl)OC1=O
InChI
InChI=1S/C10H12ClN2O3PS2/c1-3-15-17(2,18)19-6-13-9-8(16-10(13)14)4-7(11)5-12-9/h4-5H,3,6H2,1-2H3
InChIKey
GZTHTAQMKDCSHD-UHFFFAOYSA-N
Compound name
6-chloro-3-[[ethoxy(methyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.97156 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.97884 164.8
[M+Na]+ 360.96078 177.3
[M-H]- 336.96428 167.8
[M+NH4]+ 356.00538 180.5
[M+K]+ 376.93472 173.1
[M+H-H2O]+ 320.96882 157.5
[M+HCOO]- 382.96976 178.0
[M+CH3COO]- 396.98541 203.9
[M+Na-2H]- 358.94623 164.8
[M]+ 337.97101 175.9
[M]- 337.97211 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.