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]+ 359.142376 187.8
[M+Na]+ 381.124318 193.2
[M-H]- 357.127824 193.1
[M+NH4]+ 376.168923 201.1
[M+K]+ 397.098258 188.8
[M+H-H2O]+ 341.132360 179.5
[M+HCOO]- 403.133301 204.1
[M+CH3COO]- 417.148951 214.5
[M+Na-2H]- 379.109766 184.0
[M]+ 358.13455142 192.4
[M]- 358.13564858 192.4
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.