CID 3076482

Brn 4240815

Structural Information

Molecular Formula
C18H20N2O6S4
SMILES
CC1=CC=C(S1)[C@H]2N(C(=O)CS2(=O)=O)CCN3[C@@H](S(=O)(=O)CC3=O)C4=CC=C(S4)C
InChI
InChI=1S/C18H20N2O6S4/c1-11-3-5-13(27-11)17-19(15(21)9-29(17,23)24)7-8-20-16(22)10-30(25,26)18(20)14-6-4-12(2)28-14/h3-6,17-18H,7-10H2,1-2H3/t17-,18-/m0/s1
InChIKey
CFFXQCHTNMIZSR-ROUUACIJSA-N
Compound name
(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.02042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.02770 210.6
[M+Na]+ 511.00964 217.3
[M+NH4]+ 506.05424 217.5
[M+K]+ 526.98358 209.4
[M-H]- 487.01314 212.5
[M+Na-2H]- 508.99509 214.0
[M]+ 488.01987 213.7
[M]- 488.02097 213.7
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.