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 175.0
[M+Na]+ 345.10320 184.7
[M-H]- 321.10670 182.8
[M+NH4]+ 340.14780 191.4
[M+K]+ 361.07714 177.6
[M+H-H2O]+ 305.11124 167.6
[M+HCOO]- 367.11218 191.0
[M+CH3COO]- 381.12783 186.3
[M+Na-2H]- 343.08865 173.8
[M]+ 322.11343 176.4
[M]- 322.11453 176.4
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.