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

literature stripe

Patent stripe

patents stripe