CID 3764709

4-(1,3-benzothiazol-2-yl)-2-chloroquinoline

Structural Information

Molecular Formula
C16H9ClN2S
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H9ClN2S/c17-15-9-11(10-5-1-2-6-12(10)18-15)16-19-13-7-3-4-8-14(13)20-16/h1-9H
InChIKey
RJCRXSRFDZPKAL-UHFFFAOYSA-N
Compound name
2-(2-chloroquinolin-4-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0175 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02478 163.0
[M+Na]+ 319.00672 177.0
[M-H]- 295.01022 170.1
[M+NH4]+ 314.05132 181.5
[M+K]+ 334.98066 169.0
[M+H-H2O]+ 279.01476 155.8
[M+HCOO]- 341.01570 176.5
[M+CH3COO]- 355.03135 176.2
[M+Na-2H]- 316.99217 168.5
[M]+ 296.01695 169.4
[M]- 296.01805 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.