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 155.7
[M+Na]+ 312.98409 167.5
[M-H]- 288.98759 158.3
[M+NH4]+ 308.02869 172.2
[M+K]+ 328.95803 164.8
[M+H-H2O]+ 272.99213 147.6
[M+HCOO]- 334.99307 173.8
[M+CH3COO]- 349.00872 196.3
[M+Na-2H]- 310.96954 156.9
[M]+ 289.99432 164.5
[M]- 289.99542 164.5
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.