CID 205855

Phosphorothioic acid, o-(5-amino-3-isoxazolyl) o,o-diethyl ester

Structural Information

Molecular Formula
C7H13N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NOC(=C1)N
InChI
InChI=1S/C7H13N2O4PS/c1-3-10-14(15,11-4-2)13-7-5-6(8)12-9-7/h5H,3-4,8H2,1-2H3
InChIKey
SNIUQXGYWZNISM-UHFFFAOYSA-N
Compound name
3-diethoxyphosphinothioyloxy-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03337 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04065 152.0
[M+Na]+ 275.02259 159.7
[M-H]- 251.02609 153.7
[M+NH4]+ 270.06719 168.9
[M+K]+ 290.99653 159.9
[M+H-H2O]+ 235.03063 143.2
[M+HCOO]- 297.03157 175.9
[M+CH3COO]- 311.04722 191.8
[M+Na-2H]- 273.00804 152.9
[M]+ 252.03282 158.9
[M]- 252.03392 158.9
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.