CID 3074894

168127-30-8

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3S/c1-2-23-18(22)12-24-16-10-8-14(9-11-16)17-13-25-19(21-17)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKey
JTBAUYBFAAUYBB-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10382 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 182.2
[M+Na]+ 377.09304 195.0
[M+NH4]+ 372.13764 189.7
[M+K]+ 393.06698 187.2
[M-H]- 353.09654 187.8
[M+Na-2H]- 375.07849 191.2
[M]+ 354.10327 186.0
[M]- 354.10437 186.0
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.