CID 108689

Einecs 259-549-1

Structural Information

Molecular Formula
C15H24N2O6S2
SMILES
CC1(C(=O)N(C(=O)N1CCOC(=O)CCS)CCOC(=O)CCS)C
InChI
InChI=1S/C15H24N2O6S2/c1-15(2)13(20)16(5-7-22-11(18)3-9-24)14(21)17(15)6-8-23-12(19)4-10-25/h24-25H,3-10H2,1-2H3
InChIKey
LJOCSZWVBPUWHF-UHFFFAOYSA-N
Compound name
2-[4,4-dimethyl-2,5-dioxo-3-[2-(3-sulfanylpropanoyloxy)ethyl]imidazolidin-1-yl]ethyl 3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.10757 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11485 183.8
[M+Na]+ 415.09679 189.9
[M-H]- 391.10029 183.7
[M+NH4]+ 410.14139 197.1
[M+K]+ 431.07073 187.0
[M+H-H2O]+ 375.10483 178.6
[M+HCOO]- 437.10577 190.7
[M+CH3COO]- 451.12142 216.7
[M+Na-2H]- 413.08224 179.0
[M]+ 392.10702 194.1
[M]- 392.10812 194.1
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