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]+ 377.152976 191.4
[M+Na]+ 399.134918 197.6
[M-H]- 375.138424 197.2
[M+NH4]+ 394.179523 204.4
[M+K]+ 415.108858 194.6
[M+H-H2O]+ 359.142960 183.7
[M+HCOO]- 421.143901 207.1
[M+CH3COO]- 435.159551 218.1
[M+Na-2H]- 397.120366 189.4
[M]+ 376.14515142 198.6
[M]- 376.14624858 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

patents stripe