CID 24843812

Propionic acid, 3,3'-thiodi-, bis(2-(dimethylamino)ethyl) ester, dihydrochloride

Structural Information

Molecular Formula
C14H28N2O4S
SMILES
CN(C)CCOC(=O)CCSCCC(=O)OCCN(C)C
InChI
InChI=1S/C14H28N2O4S/c1-15(2)7-9-19-13(17)5-11-21-12-6-14(18)20-10-8-16(3)4/h5-12H2,1-4H3
InChIKey
PEBJFWZZRSGTIC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-[3-[2-(dimethylamino)ethoxy]-3-oxopropyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17697 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18425 180.0
[M+Na]+ 343.16619 182.0
[M-H]- 319.16969 181.6
[M+NH4]+ 338.21079 195.2
[M+K]+ 359.14013 182.9
[M+H-H2O]+ 303.17423 171.9
[M+HCOO]- 365.17517 197.8
[M+CH3COO]- 379.19082 218.0
[M+Na-2H]- 341.15164 177.0
[M]+ 320.17642 190.0
[M]- 320.17752 190.0
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.