CID 1181176

Ethyl (2-((3-(4-isopropylphenyl)acryloyl)amino)-1,3-thiazol-4-yl)acetate

Structural Information

Molecular Formula
C19H22N2O3S
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H22N2O3S/c1-4-24-18(23)11-16-12-25-19(20-16)21-17(22)10-7-14-5-8-15(9-6-14)13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,21,22)/b10-7+
InChIKey
DZEXOTWFIZWKRI-JXMROGBWSA-N
Compound name
ethyl 2-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1351 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14238 186.8
[M+Na]+ 381.12432 195.9
[M+NH4]+ 376.16892 192.3
[M+K]+ 397.09826 190.1
[M-H]- 357.12782 188.5
[M+Na-2H]- 379.10977 190.8
[M]+ 358.13455 188.7
[M]- 358.13565 188.7
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.