CID 72819

N-methylflindersine

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

CC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C

InChI

InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3

InChIKey

RJZFGBNKPOVCHQ-UHFFFAOYSA-N

Compound name

2,2,6-trimethylpyrano[3,2-c]quinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 241.11028 Da
Monoisotopic Mass: 2.2
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]+	242.117556	152.0
[M+Na]+	264.099498	163.8
[M-H]-	240.103004	157.8
[M+NH4]+	259.144103	171.8
[M+K]+	280.073438	160.7
[M+H-H2O]+	224.107540	144.6
[M+HCOO]-	286.108481	171.1
[M+CH3COO]-	300.124131	165.7
[M+Na-2H]-	262.084946	161.2
[M]+	241.10973142	155.2
[M]-	241.11082858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe