CID 29927272

Diethoxyphosphinothioyl (2e)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetate

Structural Information

Molecular Formula
C15H24N3O7PS2
SMILES
CCOP(=S)(OCC)OC(=O)/C(=N/OCC(=O)OC(C)(C)C)/C1=CSC(=N1)N
InChI
InChI=1S/C15H24N3O7PS2/c1-6-22-26(27,23-7-2)25-13(20)12(10-9-28-14(16)17-10)18-21-8-11(19)24-15(3,4)5/h9H,6-8H2,1-5H3,(H2,16,17)/b18-12+
InChIKey
SWFSMHJCCUPUEJ-LDADJPATSA-N
Compound name
diethoxyphosphinothioyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

453.0793 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08658 199.2
[M+Na]+ 476.06852 200.2
[M+NH4]+ 471.11312 200.3
[M+K]+ 492.04246 199.3
[M-H]- 452.07202 194.8
[M+Na-2H]- 474.05397 197.4
[M]+ 453.07875 198.1
[M]- 453.07985 198.1
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