CID 15956095

Chembl202186

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CC(C)C1=C(C=C(C=C1)NC2=NC=CS2)OCC=C(C)C
InChI
InChI=1S/C17H22N2OS/c1-12(2)7-9-20-16-11-14(5-6-15(16)13(3)4)19-17-18-8-10-21-17/h5-8,10-11,13H,9H2,1-4H3,(H,18,19)
InChIKey
UGQMWRMKOZLIEJ-UHFFFAOYSA-N
Compound name
N-[3-(3-methylbut-2-enoxy)-4-propan-2-ylphenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

302.1453 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 173.1
[M+Na]+ 325.13452 179.5
[M-H]- 301.13802 178.7
[M+NH4]+ 320.17912 189.2
[M+K]+ 341.10846 175.0
[M+H-H2O]+ 285.14256 165.2
[M+HCOO]- 347.14350 190.3
[M+CH3COO]- 361.15915 206.5
[M+Na-2H]- 323.11997 171.0
[M]+ 302.14475 176.5
[M]- 302.14585 176.5
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.