CID 49768022

3-(2-furylmethyl)-2-(4-quinolyl)thiazolidin-4-one

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
C1C(=O)N(C(S1)C2=CC=NC3=CC=CC=C23)CC4=CC=CO4
InChI
InChI=1S/C17H14N2O2S/c20-16-11-22-17(19(16)10-12-4-3-9-21-12)14-7-8-18-15-6-2-1-5-13(14)15/h1-9,17H,10-11H2
InChIKey
USSIVWDMCZTZHB-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-quinolin-4-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 169.3
[M+Na]+ 333.06682 180.4
[M-H]- 309.07032 179.5
[M+NH4]+ 328.11142 185.6
[M+K]+ 349.04076 176.2
[M+H-H2O]+ 293.07486 162.3
[M+HCOO]- 355.07580 186.8
[M+CH3COO]- 369.09145 182.0
[M+Na-2H]- 331.05227 169.8
[M]+ 310.07705 173.6
[M]- 310.07815 173.6
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.