CID 487310

8-(benzothiazol-2-ylsulfonyl)-5-quinolylamine

Structural Information

Molecular Formula
C16H11N3O2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)C3=C4C(=C(C=C3)N)C=CC=N4
InChI
InChI=1S/C16H11N3O2S2/c17-11-7-8-14(15-10(11)4-3-9-18-15)23(20,21)16-19-12-5-1-2-6-13(12)22-16/h1-9H,17H2
InChIKey
RGWDEBDAQFATGS-UHFFFAOYSA-N
Compound name
8-(1,3-benzothiazol-2-ylsulfonyl)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.02927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03655 174.7
[M+Na]+ 364.01849 187.7
[M-H]- 340.02199 181.3
[M+NH4]+ 359.06309 190.1
[M+K]+ 379.99243 180.2
[M+H-H2O]+ 324.02653 168.5
[M+HCOO]- 386.02747 187.3
[M+CH3COO]- 400.04312 186.3
[M+Na-2H]- 362.00394 180.9
[M]+ 341.02872 179.6
[M]- 341.02982 179.6
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.