CID 15956110

Chembl201340

Structural Information

Molecular Formula
C15H15ClN2OS
SMILES
C1CC=C(C1)COC2=C(C=CC(=C2)NC3=NC=CS3)Cl
InChI
InChI=1S/C15H15ClN2OS/c16-13-6-5-12(18-15-17-7-8-20-15)9-14(13)19-10-11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H,17,18)
InChIKey
BROGDTLMLBKKET-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.05936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06664 169.5
[M+Na]+ 329.04858 178.4
[M-H]- 305.05208 178.7
[M+NH4]+ 324.09318 187.9
[M+K]+ 345.02252 172.6
[M+H-H2O]+ 289.05662 162.4
[M+HCOO]- 351.05756 185.7
[M+CH3COO]- 365.07321 181.7
[M+Na-2H]- 327.03403 168.8
[M]+ 306.05881 173.4
[M]- 306.05991 173.4
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.