CID 2789610

Ethyl 2-{[2-(4-methoxyphenoxy)propanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C17H20N2O5S
SMILES
CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)OC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C17H20N2O5S/c1-5-23-16(21)14-10(2)18-17(25-14)19-15(20)11(3)24-13-8-6-12(22-4)7-9-13/h6-9,11H,5H2,1-4H3,(H,18,19,20)
InChIKey
IZYGFROXDVHEHO-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10928 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.116556 184.7
[M+Na]+ 387.098498 190.8
[M-H]- 363.102004 190.6
[M+NH4]+ 382.143103 197.8
[M+K]+ 403.072438 188.9
[M+H-H2O]+ 347.106540 176.7
[M+HCOO]- 409.107481 201.8
[M+CH3COO]- 423.123131 215.5
[M+Na-2H]- 385.083946 181.8
[M]+ 364.10873142 192.7
[M]- 364.10982858 192.7
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.