CID 208168

S-2-(4-glutarimidobutylamino)ethyl sodium hydrogen phosphorothioate pentahydrate

Structural Information

Molecular Formula
C11H21N2O5PS
SMILES
C1CC(=O)N(C(=O)C1)CCCCNCCSP(=O)(O)O
InChI
InChI=1S/C11H21N2O5PS/c14-10-4-3-5-11(15)13(10)8-2-1-6-12-7-9-20-19(16,17)18/h12H,1-9H2,(H2,16,17,18)
InChIKey
NPUIIHNZPBCYHR-UHFFFAOYSA-N
Compound name
2-[4-(2,6-dioxopiperidin-1-yl)butylamino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09088 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09816 170.2
[M+Na]+ 347.08010 173.1
[M-H]- 323.08360 167.1
[M+NH4]+ 342.12470 181.9
[M+K]+ 363.05404 169.8
[M+H-H2O]+ 307.08814 160.9
[M+HCOO]- 369.08908 186.6
[M+CH3COO]- 383.10473 202.6
[M+Na-2H]- 345.06555 168.1
[M]+ 324.09033 170.9
[M]- 324.09143 170.9
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.