CID 1133255

20146-24-1

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CO3

InChI

InChI=1S/C15H11NO3/c1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14/h2-8H,1H3,(H,17,18)

InChIKey

VYBHSLZEZGOOAC-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-6-methylquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.0739 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]+	254.081176	153.9
[M+Na]+	276.063118	164.7
[M-H]-	252.066624	161.0
[M+NH4]+	271.107723	170.7
[M+K]+	292.037058	161.5
[M+H-H2O]+	236.071160	146.8
[M+HCOO]-	298.072101	176.1
[M+CH3COO]-	312.087751	167.5
[M+Na-2H]-	274.048566	159.7
[M]+	253.07335142	157.8
[M]-	253.07444858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe