CID 6448050

3-((diethylamino)methyl)-2-((4-methylphenyl)imino)-5-(phenylmethylene)-4-thiazolidinone

Structural Information

Molecular Formula
C22H25N3OS
SMILES
CCN(CC)CN1C(=O)/C(=C\C2=CC=CC=C2)/SC1=NC3=CC=C(C=C3)C
InChI
InChI=1S/C22H25N3OS/c1-4-24(5-2)16-25-21(26)20(15-18-9-7-6-8-10-18)27-22(25)23-19-13-11-17(3)12-14-19/h6-15H,4-5,16H2,1-3H3/b20-15+,23-22?
InChIKey
DXEKRZWRJRCSAE-COSNONQRSA-N
Compound name
(5E)-5-benzylidene-3-(diethylaminomethyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17184 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17912 193.9
[M+Na]+ 402.16106 200.1
[M-H]- 378.16456 204.7
[M+NH4]+ 397.20566 207.7
[M+K]+ 418.13500 194.2
[M+H-H2O]+ 362.16910 184.1
[M+HCOO]- 424.17004 213.4
[M+CH3COO]- 438.18569 227.1
[M+Na-2H]- 400.14651 191.0
[M]+ 379.17129 196.5
[M]- 379.17239 196.5
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.