CID 6448045

2-((4-methylphenyl)imino)-3-(4-morpholinylmethyl)-5-(phenylmethylene)-4-thiazolidinone

Structural Information

Molecular Formula
C22H23N3O2S
SMILES
CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=CC=C3)/S2)CN4CCOCC4
InChI
InChI=1S/C22H23N3O2S/c1-17-7-9-19(10-8-17)23-22-25(16-24-11-13-27-14-12-24)21(26)20(28-22)15-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+,23-22?
InChIKey
RVYUKGXEYVOMLD-COSNONQRSA-N
Compound name
(5E)-5-benzylidene-2-(4-methylphenyl)imino-3-(morpholin-4-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1511 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15838 194.0
[M+Na]+ 416.14032 207.0
[M+NH4]+ 411.18492 201.5
[M+K]+ 432.11426 198.4
[M-H]- 392.14382 202.6
[M+Na-2H]- 414.12577 201.8
[M]+ 393.15055 198.6
[M]- 393.15165 198.6
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.