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 195.8
[M+Na]+ 416.14032 201.4
[M-H]- 392.14382 206.9
[M+NH4]+ 411.18492 205.2
[M+K]+ 432.11426 195.7
[M+H-H2O]+ 376.14836 185.3
[M+HCOO]- 438.14930 209.2
[M+CH3COO]- 452.16495 204.5
[M+Na-2H]- 414.12577 192.7
[M]+ 393.15055 193.4
[M]- 393.15165 193.4
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.