CID 487292

8-benzothiazol-2-ylthio-5-quinolylamine

Structural Information

Molecular Formula
C16H11N3S2
SMILES
C1=CC=C2C(=C1)N=C(S2)SC3=C4C(=C(C=C3)N)C=CC=N4
InChI
InChI=1S/C16H11N3S2/c17-11-7-8-14(15-10(11)4-3-9-18-15)21-16-19-12-5-1-2-6-13(12)20-16/h1-9H,17H2
InChIKey
DQLGLDMAHYTTTM-UHFFFAOYSA-N
Compound name
8-(1,3-benzothiazol-2-ylsulfanyl)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.03943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04671 162.7
[M+Na]+ 332.02865 175.9
[M-H]- 308.03215 169.1
[M+NH4]+ 327.07325 179.8
[M+K]+ 348.00259 167.7
[M+H-H2O]+ 292.03669 156.3
[M+HCOO]- 354.03763 176.3
[M+CH3COO]- 368.05328 175.0
[M+Na-2H]- 330.01410 167.8
[M]+ 309.03888 166.9
[M]- 309.03998 166.9
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

No patent data available for this compound.