CID 15956112

Chembl381277

Structural Information

Molecular Formula
C16H17ClN2OS
SMILES
CC1=C(CCC1)COC2=C(C=CC(=C2)NC3=NC=CS3)Cl
InChI
InChI=1S/C16H17ClN2OS/c1-11-3-2-4-12(11)10-20-15-9-13(5-6-14(15)17)19-16-18-7-8-21-16/h5-9H,2-4,10H2,1H3,(H,18,19)
InChIKey
HGNYYRMDXRYNFF-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-[(2-methylcyclopenten-1-yl)methoxy]phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

320.075 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08228 174.3
[M+Na]+ 343.06422 183.5
[M-H]- 319.06772 183.7
[M+NH4]+ 338.10882 192.4
[M+K]+ 359.03816 177.5
[M+H-H2O]+ 303.07226 167.3
[M+HCOO]- 365.07320 190.0
[M+CH3COO]- 379.08885 186.3
[M+Na-2H]- 341.04967 172.4
[M]+ 320.07445 178.9
[M]- 320.07555 178.9
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