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 182.3
[M+Na]+ 377.09304 189.1
[M-H]- 353.09654 191.0
[M+NH4]+ 372.13764 195.5
[M+K]+ 393.06698 184.3
[M+H-H2O]+ 337.10108 173.1
[M+HCOO]- 399.10202 201.8
[M+CH3COO]- 413.11767 211.6
[M+Na-2H]- 375.07849 183.1
[M]+ 354.10327 187.0
[M]- 354.10437 187.0
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.