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 187.8
[M+Na]+ 381.12432 193.2
[M-H]- 357.12782 193.1
[M+NH4]+ 376.16892 201.1
[M+K]+ 397.09826 188.8
[M+H-H2O]+ 341.13236 179.5
[M+HCOO]- 403.13330 204.1
[M+CH3COO]- 417.14895 214.5
[M+Na-2H]- 379.10977 184.0
[M]+ 358.13455 192.4
[M]- 358.13565 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.