CID 45357829

162208-27-7

Structural Information

Molecular Formula
C10H16N3O5PS2
SMILES
CCOP(=S)(OCC)OC(=O)/C(=N\OC)/C1=CSC(=N1)N
InChI
InChI=1S/C10H16N3O5PS2/c1-4-16-19(20,17-5-2)18-9(14)8(13-15-3)7-6-21-10(11)12-7/h6H,4-5H2,1-3H3,(H2,11,12)/b13-8-
InChIKey
JNSGIVNNHKGGRU-JYRVWZFOSA-N
Compound name
diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4425
Patents

353.0269 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.03418 171.8
[M+Na]+ 376.01612 176.8
[M-H]- 352.01962 173.3
[M+NH4]+ 371.06072 185.7
[M+K]+ 391.99006 175.1
[M+H-H2O]+ 336.02416 161.8
[M+HCOO]- 398.02510 190.9
[M+CH3COO]- 412.04075 213.2
[M+Na-2H]- 374.00157 169.4
[M]+ 353.02635 179.2
[M]- 353.02745 179.2
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

patents stripe