CID 3074896

168127-32-0

Structural Information

Molecular Formula
C20H20N2O3S
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2O3S/c1-3-24-19(23)12-25-17-10-6-15(7-11-17)18-13-26-20(22-18)21-16-8-4-14(2)5-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKey
OFHHUWUBFXVGCK-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12676 186.9
[M+Na]+ 391.10870 199.9
[M+NH4]+ 386.15330 194.3
[M+K]+ 407.08264 192.1
[M-H]- 367.11220 192.5
[M+Na-2H]- 389.09415 195.5
[M]+ 368.11893 190.8
[M]- 368.12003 190.8
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.