CID 3066277

109859-00-9

Structural Information

Molecular Formula
C20H18F2N2O2S2
SMILES
C1C(=O)N([C@H](S1)C2=CC(=CC=C2)F)CCN3[C@H](SCC3=O)C4=CC(=CC=C4)F
InChI
InChI=1S/C20H18F2N2O2S2/c21-15-5-1-3-13(9-15)19-23(17(25)11-27-19)7-8-24-18(26)12-28-20(24)14-4-2-6-16(22)10-14/h1-6,9-10,19-20H,7-8,11-12H2/t19-,20-/m1/s1
InChIKey
PSTGWBZCEHGXTA-WOJBJXKFSA-N
Compound name
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0778 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08508 194.7
[M+Na]+ 443.06702 204.3
[M-H]- 419.07052 202.8
[M+NH4]+ 438.11162 207.2
[M+K]+ 459.04096 196.7
[M+H-H2O]+ 403.07506 186.0
[M+HCOO]- 465.07600 202.4
[M+CH3COO]- 479.09165 203.8
[M+Na-2H]- 441.05247 185.9
[M]+ 420.07725 194.2
[M]- 420.07835 194.2
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.