CID 4736944

86210-91-5

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)OC)C

InChI

InChI=1S/C14H15NO3/c1-4-18-14(16)12-7-10-5-6-11(17-3)8-13(10)15-9(12)2/h5-8H,4H2,1-3H3

InChIKey

YKAUGLDGHONGMM-UHFFFAOYSA-N

Compound name

ethyl 7-methoxy-2-methylquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 245.1052 Da
Monoisotopic Mass: 2.8
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]+	246.11248	153.8
[M+Na]+	268.09442	163.2
[M-H]-	244.09792	157.5
[M+NH4]+	263.13902	171.5
[M+K]+	284.06836	160.8
[M+H-H2O]+	228.10246	146.5
[M+HCOO]-	290.10340	175.1
[M+CH3COO]-	304.11905	195.4
[M+Na-2H]-	266.07987	159.4
[M]+	245.10465	158.9
[M]-	245.10575	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe