CID 15956109

Chembl382182

Structural Information

Molecular Formula
C15H17ClN2OS
SMILES
CC/C(=C\COC1=C(C=CC(=C1)NC2=NC=CS2)Cl)/C
InChI
InChI=1S/C15H17ClN2OS/c1-3-11(2)6-8-19-14-10-12(4-5-13(14)16)18-15-17-7-9-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)/b11-6-
InChIKey
XENXASSDWFNRRT-WDZFZDKYSA-N
Compound name
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.075 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08228 170.8
[M+Na]+ 331.06422 179.1
[M-H]- 307.06772 176.5
[M+NH4]+ 326.10882 187.6
[M+K]+ 347.03816 172.8
[M+H-H2O]+ 291.07226 163.8
[M+HCOO]- 353.07320 185.1
[M+CH3COO]- 367.08885 203.3
[M+Na-2H]- 329.04967 170.2
[M]+ 308.07445 176.0
[M]- 308.07555 176.0
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.