CID 13157293

Brn 5750719

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

CC1=C2C=C(OC2=C3C=C(C=CC3=N1)OC)C(C)OC

InChI

InChI=1S/C16H17NO3/c1-9-12-8-15(10(2)18-3)20-16(12)13-7-11(19-4)5-6-14(13)17-9/h5-8,10H,1-4H3

InChIKey

ZZZAHSNYEZLBIV-UHFFFAOYSA-N

Compound name

8-methoxy-2-(1-methoxyethyl)-4-methylfuro[3,2-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 3.1
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]+	272.128126	161.2
[M+Na]+	294.110068	172.6
[M-H]-	270.113574	167.3
[M+NH4]+	289.154673	179.7
[M+K]+	310.084008	170.5
[M+H-H2O]+	254.118110	154.5
[M+HCOO]-	316.119051	182.6
[M+CH3COO]-	330.134701	201.4
[M+Na-2H]-	292.095516	166.8
[M]+	271.12030142	169.7
[M]-	271.12139858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.