CID 489141

(2z)-5-butyl-3-phenyl-2-phenylimino-thiazolidin-4-one

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CCCCC1C(=O)N(C(=NC2=CC=CC=C2)S1)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2OS/c1-2-3-14-17-18(22)21(16-12-8-5-9-13-16)19(23-17)20-15-10-6-4-7-11-15/h4-13,17H,2-3,14H2,1H3
InChIKey
FXXBCEWASAZKLD-UHFFFAOYSA-N
Compound name
5-butyl-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12964 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 177.2
[M+Na]+ 347.11886 184.5
[M-H]- 323.12236 186.9
[M+NH4]+ 342.16346 192.8
[M+K]+ 363.09280 178.6
[M+H-H2O]+ 307.12690 168.3
[M+HCOO]- 369.12784 196.2
[M+CH3COO]- 383.14349 188.4
[M+Na-2H]- 345.10431 176.4
[M]+ 324.12909 178.6
[M]- 324.13019 178.6
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.