CID 978479

Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C19H24N2O4S
SMILES
CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C19H24N2O4S/c1-6-24-17(23)16-12(2)20-18(26-16)21-15(22)11-25-14-9-7-13(8-10-14)19(3,4)5/h7-10H,6,11H2,1-5H3,(H,20,21,22)
InChIKey
FSPXDJIIHHNUIN-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.1457 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15298 191.4
[M+Na]+ 399.13492 197.6
[M-H]- 375.13842 197.2
[M+NH4]+ 394.17952 204.4
[M+K]+ 415.10886 194.6
[M+H-H2O]+ 359.14296 183.7
[M+HCOO]- 421.14390 207.1
[M+CH3COO]- 435.15955 218.1
[M+Na-2H]- 397.12037 189.4
[M]+ 376.14515 198.6
[M]- 376.14625 198.6
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.