CID 3074895

168127-31-9

Structural Information

Molecular Formula
C20H20N2O4S
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20N2O4S/c1-3-25-19(23)12-26-17-8-4-14(5-9-17)18-13-27-20(22-18)21-15-6-10-16(24-2)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKey
SCEOOUHAQONRFU-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11438 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12166 190.1
[M+Na]+ 407.10360 202.5
[M+NH4]+ 402.14820 196.8
[M+K]+ 423.07754 195.3
[M-H]- 383.10710 195.2
[M+Na-2H]- 405.08905 198.2
[M]+ 384.11383 193.7
[M]- 384.11493 193.7
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.