CID 20836362

3-((diethylamino)methyl)-5-cinnamylidene-2-(phenylimino)-4-thiazolidinone

Structural Information

Molecular Formula
C23H25N3OS
SMILES
CCN(CC)CN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=NC3=CC=CC=C3
InChI
InChI=1S/C23H25N3OS/c1-3-25(4-2)18-26-22(27)21(17-11-14-19-12-7-5-8-13-19)28-23(26)24-20-15-9-6-10-16-20/h5-17H,3-4,18H2,1-2H3/b14-11+,21-17+,24-23?
InChIKey
GZQPXGLXBBLWSW-NDXGJEFKSA-N
Compound name
(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17184 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17912 197.7
[M+Na]+ 414.16106 203.0
[M-H]- 390.16456 208.0
[M+NH4]+ 409.20566 210.6
[M+K]+ 430.13500 196.2
[M+H-H2O]+ 374.16910 187.5
[M+HCOO]- 436.17004 217.0
[M+CH3COO]- 450.18569 227.4
[M+Na-2H]- 412.14651 195.0
[M]+ 391.17129 199.4
[M]- 391.17239 199.4
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.