CID 3041527

Brn 1082436

Structural Information

Molecular Formula
C10H13N2O3PS2
SMILES
CCP(=S)(OC)SCN1C2=C(C=CC=N2)OC1=O
InChI
InChI=1S/C10H13N2O3PS2/c1-3-16(17,14-2)18-7-12-9-8(15-10(12)13)5-4-6-11-9/h4-6H,3,7H2,1-2H3
InChIKey
CIVJFTCUKKDASJ-UHFFFAOYSA-N
Compound name
3-[[ethyl(methoxy)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

304.01053 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01781 160.1
[M+Na]+ 326.99975 171.5
[M-H]- 303.00325 162.5
[M+NH4]+ 322.04435 176.0
[M+K]+ 342.97369 168.5
[M+H-H2O]+ 287.00779 151.9
[M+HCOO]- 349.00873 178.0
[M+CH3COO]- 363.02438 199.2
[M+Na-2H]- 324.98520 160.9
[M]+ 304.00998 169.3
[M]- 304.01108 169.3
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.