CID 2451307

Ethyl 2-[2-(ethylimino)-3-(2,4,6-trimethylphenyl)-2,3-dihydro-1,3-thiazol-4-yl]acetate

Structural Information

Molecular Formula
C18H24N2O2S
SMILES
CCN=C1N(C(=CS1)CC(=O)OCC)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C18H24N2O2S/c1-6-19-18-20(15(11-23-18)10-16(21)22-7-2)17-13(4)8-12(3)9-14(17)5/h8-9,11H,6-7,10H2,1-5H3
InChIKey
PBQKRDSCYLQWHW-UHFFFAOYSA-N
Compound name
ethyl 2-[2-ethylimino-3-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.15585 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.163126 179.4
[M+Na]+ 355.145068 188.9
[M-H]- 331.148574 187.3
[M+NH4]+ 350.189673 195.9
[M+K]+ 371.119008 184.4
[M+H-H2O]+ 315.153110 171.7
[M+HCOO]- 377.154051 199.1
[M+CH3COO]- 391.169701 215.4
[M+Na-2H]- 353.130516 176.4
[M]+ 332.15530142 187.4
[M]- 332.15639858 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.