CID 345701

Nsc403439

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H15N3O3S/c1-22-13-9-11-3-2-8-18-16(11)15(10-13)19-23(20,21)14-6-4-12(17)5-7-14/h2-10,19H,17H2,1H3
InChIKey
UOVHJIRVCJUADM-UHFFFAOYSA-N
Compound name
4-amino-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.0834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.090676 172.5
[M+Na]+ 352.072618 181.2
[M-H]- 328.076124 178.7
[M+NH4]+ 347.117223 185.7
[M+K]+ 368.046558 175.8
[M+H-H2O]+ 312.080660 164.1
[M+HCOO]- 374.081601 190.3
[M+CH3COO]- 388.097251 210.3
[M+Na-2H]- 350.058066 179.5
[M]+ 329.08285142 174.9
[M]- 329.08394858 174.9
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.