CID 388376

Nsc683268

Structural Information

Molecular Formula
C15H11ClN2O3S
SMILES
C1=CC(=CC=C1NC2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)O
InChI
InChI=1S/C15H11ClN2O3S/c16-10-1-6-13-14(7-8-17-15(13)9-10)18-11-2-4-12(5-3-11)22(19,20)21/h1-9H,(H,17,18)(H,19,20,21)
InChIKey
SJQXBEPEPCAVEI-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.01788 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02516 170.2
[M+Na]+ 357.00710 180.6
[M-H]- 333.01060 175.9
[M+NH4]+ 352.05170 184.2
[M+K]+ 372.98104 173.7
[M+H-H2O]+ 317.01514 163.5
[M+HCOO]- 379.01608 182.1
[M+CH3COO]- 393.03173 181.4
[M+Na-2H]- 354.99255 177.2
[M]+ 334.01733 174.5
[M]- 334.01843 174.5
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

patents stripe