CID 208157

Glutarimide, n-(3-(2-mercaptoethylamino)propyl)-, sodium hydrogen phosphorothioate (ester), tetrahydrate

Structural Information

Molecular Formula
C10H19N2O5PS
SMILES
C1CC(=O)N(C(=O)C1)CCCNCCSP(=O)(O)O
InChI
InChI=1S/C10H19N2O5PS/c13-9-3-1-4-10(14)12(9)7-2-5-11-6-8-19-18(15,16)17/h11H,1-8H2,(H2,15,16,17)
InChIKey
QAMZPGSTWKQPQE-UHFFFAOYSA-N
Compound name
2-[3-(2,6-dioxopiperidin-1-yl)propylamino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07523 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08251 165.9
[M+Na]+ 333.06445 169.3
[M-H]- 309.06795 163.0
[M+NH4]+ 328.10905 178.2
[M+K]+ 349.03839 166.2
[M+H-H2O]+ 293.07249 156.8
[M+HCOO]- 355.07343 182.6
[M+CH3COO]- 369.08908 199.6
[M+Na-2H]- 331.04990 164.3
[M]+ 310.07468 166.2
[M]- 310.07578 166.2
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

No patent data available for this compound.