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]+ 446.15331 207.3
[M+Na]+ 468.13525 212.4
[M-H]- 444.13875 219.6
[M+NH4]+ 463.17985 216.6
[M+K]+ 484.10919 206.1
[M+H-H2O]+ 428.14329 196.4
[M+HCOO]- 490.14423 225.9
[M+CH3COO]- 504.15988 215.8
[M+Na-2H]- 466.12070 205.6
[M]+ 445.14548 209.0
[M]- 445.14658 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.