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 189.8
[M+Na]+ 407.10360 196.6
[M-H]- 383.10710 198.7
[M+NH4]+ 402.14820 201.9
[M+K]+ 423.07754 192.4
[M+H-H2O]+ 367.11164 180.5
[M+HCOO]- 429.11258 209.1
[M+CH3COO]- 443.12823 217.8
[M+Na-2H]- 405.08905 189.7
[M]+ 384.11383 196.7
[M]- 384.11493 196.7
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.