CID 15956093

Chembl201778

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CCC1=C(C=C(C=C1)NC2=NC=CS2)OCC=C(C)C
InChI
InChI=1S/C16H20N2OS/c1-4-13-5-6-14(18-16-17-8-10-20-16)11-15(13)19-9-7-12(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKey
DHGUBEMTMXQPCL-UHFFFAOYSA-N
Compound name
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

288.12964 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 168.3
[M+Na]+ 311.11886 175.5
[M-H]- 287.12236 173.9
[M+NH4]+ 306.16346 185.0
[M+K]+ 327.09280 170.6
[M+H-H2O]+ 271.12690 160.4
[M+HCOO]- 333.12784 186.9
[M+CH3COO]- 347.14349 202.7
[M+Na-2H]- 309.10431 167.7
[M]+ 288.12909 171.9
[M]- 288.13019 171.9
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

patents stripe