CID 132933

Zinquin

Structural Information

Molecular Formula
C19H18N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OCC(=O)O)C=CC(=N3)C
InChI
InChI=1S/C19H18N2O5S/c1-12-3-7-16(8-4-12)27(24,25)21-17-10-15(26-11-18(22)23)9-14-6-5-13(2)20-19(14)17/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKey
CGNKOBNGEFZRQU-UHFFFAOYSA-N
Compound name
2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

123
Patents

386.09363 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10091 187.1
[M+Na]+ 409.08285 199.7
[M+NH4]+ 404.12745 192.7
[M+K]+ 425.05679 192.5
[M-H]- 385.08635 189.5
[M+Na-2H]- 407.06830 193.5
[M]+ 386.09308 190.0
[M]- 386.09418 190.0
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