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]+ 390.16348 196.6
[M+Na]+ 412.14542 202.3
[M-H]- 388.14892 207.6
[M+NH4]+ 407.19002 209.5
[M+K]+ 428.11936 194.8
[M+H-H2O]+ 372.15346 186.7
[M+HCOO]- 434.15440 213.0
[M+CH3COO]- 448.17005 205.6
[M+Na-2H]- 410.13087 191.2
[M]+ 389.15565 194.1
[M]- 389.15675 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.