CID 3070417

86427-44-3

Structural Information

Molecular Formula
C19H18N2OS
SMILES
C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)CCC4=CC=CC=C4
InChI
InChI=1S/C19H18N2OS/c22-18-13-23-19(16-12-20-17-9-5-4-8-15(16)17)21(18)11-10-14-6-2-1-3-7-14/h1-9,12,19-20H,10-11,13H2
InChIKey
LDDYPGMGUXNFFQ-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11398 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12126 174.3
[M+Na]+ 345.10320 188.5
[M+NH4]+ 340.14780 183.4
[M+K]+ 361.07714 181.3
[M-H]- 321.10670 179.7
[M+Na-2H]- 343.08865 182.2
[M]+ 322.11343 178.4
[M]- 322.11453 178.4
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.