CID 211658

23509-80-0

Structural Information

Molecular Formula
C22H36N2O6S4
SMILES
CC(=O)OCCC1C(N(C(=S)S1)CCCCCCN2C(=S)SC(C2(C)O)CCOC(=O)C)(C)O
InChI
InChI=1S/C22H36N2O6S4/c1-15(25)29-13-9-17-21(3,27)23(19(31)33-17)11-7-5-6-8-12-24-20(32)34-18(22(24,4)28)10-14-30-16(2)26/h17-18,27-28H,5-14H2,1-4H3
InChIKey
SBJODACRXYHVRZ-UHFFFAOYSA-N
Compound name
2-[3-[6-[5-(2-acetyloxyethyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl]hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.1456 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.15288 220.7
[M+Na]+ 575.13482 221.4
[M+NH4]+ 570.17942 225.0
[M+K]+ 591.10876 212.5
[M-H]- 551.13832 217.2
[M+Na-2H]- 573.12027 218.7
[M]+ 552.14505 221.1
[M]- 552.14615 221.1
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

No patent data available for this compound.