CID 135741221

Cms-121

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

C1CCC(C1)OC2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2

InChIKey

OMHNVUCFPJJLKD-UHFFFAOYSA-N

Compound name

4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 21
Patents: 321.1365 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.14378	176.7
[M+Na]+	344.12572	191.2
[M+NH4]+	339.17032	185.2
[M+K]+	360.09966	185.0
[M-H]-	320.12922	182.3
[M+Na-2H]-	342.11117	184.7
[M]+	321.13595	180.4
[M]-	321.13705	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe