CID 215366

Brn 1003409

Structural Information

Molecular Formula
C9H11N2O3PS2
SMILES
COP(=S)(C)SCN1C2=C(C=CC=N2)OC1=O
InChI
InChI=1S/C9H11N2O3PS2/c1-13-15(2,16)17-6-11-8-7(14-9(11)12)4-3-5-10-8/h3-5H,6H2,1-2H3
InChIKey
SGKNOBDPUKGLPA-UHFFFAOYSA-N
Compound name
3-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.99487 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00215 158.5
[M+Na]+ 312.98409 170.1
[M+NH4]+ 308.02869 165.5
[M+K]+ 328.95803 163.5
[M-H]- 288.98759 159.5
[M+Na-2H]- 310.96954 161.4
[M]+ 289.99432 161.3
[M]- 289.99542 161.3
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.