CID 130606

109628-27-5

Structural Information

Molecular Formula
C17H16N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OC)C=CC=N3
InChI
InChI=1S/C17H16N2O3S/c1-12-5-7-15(8-6-12)23(20,21)19-16-11-14(22-2)10-13-4-3-9-18-17(13)16/h3-11,19H,1-2H3
InChIKey
HKRNYOZJJMFDBV-UHFFFAOYSA-N
Compound name
N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

56
References

215
Patents

328.08817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09545 173.4
[M+Na]+ 351.07739 188.0
[M+NH4]+ 346.12199 181.3
[M+K]+ 367.05133 178.8
[M-H]- 327.08089 177.7
[M+Na-2H]- 349.06284 182.2
[M]+ 328.08762 177.3
[M]- 328.08872 177.3
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

patents stripe