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]+ 333.16313 179.4
[M+Na]+ 355.14507 188.9
[M-H]- 331.14857 187.3
[M+NH4]+ 350.18967 195.9
[M+K]+ 371.11901 184.4
[M+H-H2O]+ 315.15311 171.7
[M+HCOO]- 377.15405 199.1
[M+CH3COO]- 391.16970 215.4
[M+Na-2H]- 353.13052 176.4
[M]+ 332.15530 187.4
[M]- 332.15640 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.