CID 20836367

104123-93-5

Structural Information

Molecular Formula
C23H23N3OS
SMILES
C1CCN(C1)CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=NC4=CC=CC=C4
InChI
InChI=1S/C23H23N3OS/c27-22-21(15-9-12-19-10-3-1-4-11-19)28-23(24-20-13-5-2-6-14-20)26(22)18-25-16-7-8-17-25/h1-6,9-15H,7-8,16-18H2/b12-9+,21-15+,24-23?
InChIKey
GEOOMOSEIWRWJZ-WWIFJCGBSA-N
Compound name
(5E)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1562 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.163476 196.6
[M+Na]+ 412.145418 202.3
[M-H]- 388.148924 207.6
[M+NH4]+ 407.190023 209.5
[M+K]+ 428.119358 194.8
[M+H-H2O]+ 372.153460 186.7
[M+HCOO]- 434.154401 213.0
[M+CH3COO]- 448.170051 205.6
[M+Na-2H]- 410.130866 191.2
[M]+ 389.15565142 194.1
[M]- 389.15674858 194.1
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.