CID 23510

Amiquinsin

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

COC1=CC2=C(C=CN=C2C=C1OC)N

InChI

InChI=1S/C11H12N2O2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3,(H2,12,13)

InChIKey

UZVYGOXJMRZJFK-UHFFFAOYSA-N

Compound name

6,7-dimethoxyquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 451
Patents: 204.08987 Da
Monoisotopic Mass: 1.5
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]+	205.097146	142.4
[M+Na]+	227.079088	152.3
[M-H]-	203.082594	146.0
[M+NH4]+	222.123693	161.3
[M+K]+	243.053028	149.7
[M+H-H2O]+	187.087130	135.4
[M+HCOO]-	249.088071	165.8
[M+CH3COO]-	263.103721	189.2
[M+Na-2H]-	225.064536	150.2
[M]+	204.08932142	144.7
[M]-	204.09041858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe