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]+ 330.09068 172.5
[M+Na]+ 352.07262 181.2
[M-H]- 328.07612 178.7
[M+NH4]+ 347.11722 185.7
[M+K]+ 368.04656 175.8
[M+H-H2O]+ 312.08066 164.1
[M+HCOO]- 374.08160 190.3
[M+CH3COO]- 388.09725 210.3
[M+Na-2H]- 350.05807 179.5
[M]+ 329.08285 174.9
[M]- 329.08395 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.