CID 15956094

Chembl202174

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CCCC1=C(C=C(C=C1)NC2=NC=CS2)OCC=C(C)C
InChI
InChI=1S/C17H22N2OS/c1-4-5-14-6-7-15(19-17-18-9-11-21-17)12-16(14)20-10-8-13(2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,19)
InChIKey
URGUSGQRIDRLFF-UHFFFAOYSA-N
Compound name
N-[3-(3-methylbut-2-enoxy)-4-propylphenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

302.1453 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 172.7
[M+Na]+ 325.13452 179.4
[M-H]- 301.13802 178.1
[M+NH4]+ 320.17912 188.8
[M+K]+ 341.10846 174.3
[M+H-H2O]+ 285.14256 164.6
[M+HCOO]- 347.14350 190.9
[M+CH3COO]- 361.15915 205.6
[M+Na-2H]- 323.11997 171.6
[M]+ 302.14475 176.6
[M]- 302.14585 176.6
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.