CID 516434

Schembl5866589

Structural Information

Molecular Formula

C₁₈H₁₉NO₂

SMILES

CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C=C1C3=CC=CO3

InChI

InChI=1S/C18H19NO2/c1-4-19-15-8-7-13(12(2)3)10-14(15)17(20)11-16(19)18-6-5-9-21-18/h5-12H,4H2,1-3H3

InChIKey

NIPKRQMXKKNIGR-UHFFFAOYSA-N

Compound name

1-ethyl-2-(furan-2-yl)-6-propan-2-ylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 281.14157 Da
Monoisotopic Mass: 3.9
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]+	282.148846	165.1
[M+Na]+	304.130788	176.1
[M-H]-	280.134294	173.3
[M+NH4]+	299.175393	181.9
[M+K]+	320.104728	172.4
[M+H-H2O]+	264.138830	157.5
[M+HCOO]-	326.139771	187.5
[M+CH3COO]-	340.155421	178.5
[M+Na-2H]-	302.116236	168.8
[M]+	281.14102142	170.8
[M]-	281.14211858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe