CID 15956090

Chembl201779

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CC1=C(C=C(C=C1)NC2=NC=CS2)OCC=C(C)C
InChI
InChI=1S/C15H18N2OS/c1-11(2)6-8-18-14-10-13(5-4-12(14)3)17-15-16-7-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKey
ZRCOUBBFKQRZLG-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

274.11398 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12126 163.9
[M+Na]+ 297.10320 171.6
[M-H]- 273.10670 169.7
[M+NH4]+ 292.14780 181.2
[M+K]+ 313.07714 166.9
[M+H-H2O]+ 257.11124 156.2
[M+HCOO]- 319.11218 182.8
[M+CH3COO]- 333.12783 199.7
[M+Na-2H]- 295.08865 163.8
[M]+ 274.11343 167.1
[M]- 274.11453 167.1
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.