CID 13157280

Brn 5751024

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(C)OC(C)C

InChI

InChI=1S/C17H19NO2/c1-10(2)19-12(4)16-9-14-11(3)18-15-8-6-5-7-13(15)17(14)20-16/h5-10,12H,1-4H3

InChIKey

NPHVFPGDGXGXFF-UHFFFAOYSA-N

Compound name

4-methyl-2-(1-propan-2-yloxyethyl)furo[3,2-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.14157 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]+	270.148846	163.3
[M+Na]+	292.130788	173.1
[M-H]-	268.134294	168.8
[M+NH4]+	287.175393	181.5
[M+K]+	308.104728	170.6
[M+H-H2O]+	252.138830	156.4
[M+HCOO]-	314.139771	183.1
[M+CH3COO]-	328.155421	176.2
[M+Na-2H]-	290.116236	167.7
[M]+	269.14102142	169.6
[M]-	269.14211858	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.