CID 487308

4-[(5-amino-8-quinolyl)sulfonyl]phenol

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)C3=CC=C(C=C3)O)N
InChI
InChI=1S/C15H12N2O3S/c16-13-7-8-14(15-12(13)2-1-9-17-15)21(19,20)11-5-3-10(18)4-6-11/h1-9,18H,16H2
InChIKey
QTWFAUPLDZGJSN-UHFFFAOYSA-N
Compound name
4-(5-aminoquinolin-8-yl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.05685 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 165.3
[M+Na]+ 323.04607 175.1
[M-H]- 299.04957 170.5
[M+NH4]+ 318.09067 179.4
[M+K]+ 339.02001 169.0
[M+H-H2O]+ 283.05411 157.8
[M+HCOO]- 345.05505 181.0
[M+CH3COO]- 359.07070 176.6
[M+Na-2H]- 321.03152 171.6
[M]+ 300.05630 166.4
[M]- 300.05740 166.4
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.