CID 3073253

4-thiazolidinecarboxamide, n,n'-(dithiodi-2,1-ethanediyl)bis-, (r-(r*,r*))-, bis(trifluoroacetate)

Structural Information

Molecular Formula
C12H22N4O2S4
SMILES
C1[C@H](N(CS1)CCSSCCN2CSC[C@H]2C(=O)N)C(=O)N
InChI
InChI=1S/C12H22N4O2S4/c13-11(17)9-5-19-7-15(9)1-3-21-22-4-2-16-8-20-6-10(16)12(14)18/h9-10H,1-8H2,(H2,13,17)(H2,14,18)/t9-,10-/m0/s1
InChIKey
ZPTNOBBEXKBHRB-UWVGGRQHSA-N
Compound name
(4R)-3-[2-[2-[(4R)-4-carbamoyl-1,3-thiazolidin-3-yl]ethyldisulfanyl]ethyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.06256 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06984 180.5
[M+Na]+ 405.05178 184.5
[M-H]- 381.05528 180.0
[M+NH4]+ 400.09638 192.0
[M+K]+ 421.02572 176.8
[M+H-H2O]+ 365.05982 175.0
[M+HCOO]- 427.06076 176.4
[M+CH3COO]- 441.07641 216.2
[M+Na-2H]- 403.03723 174.7
[M]+ 382.06201 175.7
[M]- 382.06311 175.7
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.