CID 15956102

Chembl383168

Structural Information

Molecular Formula
C14H11ClN2OS2
SMILES
C1=CSC(=C1)COC2=C(C=CC(=C2)NC3=NC=CS3)Cl
InChI
InChI=1S/C14H11ClN2OS2/c15-12-4-3-10(17-14-16-5-7-20-14)8-13(12)18-9-11-2-1-6-19-11/h1-8H,9H2,(H,16,17)
InChIKey
RPKVXIIGYZJAHE-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(thiophen-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.00012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00740 169.2
[M+Na]+ 344.98934 181.5
[M-H]- 320.99284 179.5
[M+NH4]+ 340.03394 187.8
[M+K]+ 360.96328 174.6
[M+H-H2O]+ 304.99738 163.5
[M+HCOO]- 366.99832 183.4
[M+CH3COO]- 381.01397 182.3
[M+Na-2H]- 342.97479 169.2
[M]+ 321.99957 176.6
[M]- 322.00067 176.6
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.