CID 2870307

N-(4-ethoxyphenyl)-2-[(2z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide

Structural Information

Molecular Formula
C25H23N3O3S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)C4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3S/c1-2-31-21-15-13-19(14-16-21)26-23(29)17-22-24(30)28(20-11-7-4-8-12-20)25(32-22)27-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H,26,29)
InChIKey
IXJOWDDYUDDZQR-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14603 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.153306 207.3
[M+Na]+ 468.135248 212.4
[M-H]- 444.138754 219.6
[M+NH4]+ 463.179853 216.6
[M+K]+ 484.109188 206.1
[M+H-H2O]+ 428.143290 196.4
[M+HCOO]- 490.144231 225.9
[M+CH3COO]- 504.159881 215.8
[M+Na-2H]- 466.120696 205.6
[M]+ 445.14548142 209.0
[M]- 445.14657858 209.0
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.