CID 15956089

Chembl369995

Structural Information

Molecular Formula
C14H16N2OS
SMILES
CC(=CCOC1=CC=CC(=C1)NC2=NC=CS2)C
InChI
InChI=1S/C14H16N2OS/c1-11(2)6-8-17-13-5-3-4-12(10-13)16-14-15-7-9-18-14/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKey
GJDHBTSOLNZCMP-UHFFFAOYSA-N
Compound name
N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.09833 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10561 159.5
[M+Na]+ 283.08755 166.8
[M-H]- 259.09105 165.1
[M+NH4]+ 278.13215 177.1
[M+K]+ 299.06149 162.4
[M+H-H2O]+ 243.09559 151.8
[M+HCOO]- 305.09653 178.8
[M+CH3COO]- 319.11218 195.6
[M+Na-2H]- 281.07300 160.6
[M]+ 260.09778 162.0
[M]- 260.09888 162.0
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

No patent data available for this compound.