CID 464273

2-methoxypyridine deriv. 25

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₃

SMILES

CCC1=CC(=C(N=C1C)OC)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18N2O3/c1-4-12-9-13(16(23-3)19-11(12)2)10-20-17(21)14-7-5-6-8-15(14)18(20)22/h5-9H,4,10H2,1-3H3

InChIKey

ZSCLJGSDZMBLNY-UHFFFAOYSA-N

Compound name

2-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.13174 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]+	311.139016	172.8
[M+Na]+	333.120958	183.6
[M-H]-	309.124464	178.8
[M+NH4]+	328.165563	188.4
[M+K]+	349.094898	178.7
[M+H-H2O]+	293.129000	164.3
[M+HCOO]-	355.129941	193.1
[M+CH3COO]-	369.145591	208.9
[M+Na-2H]-	331.106406	173.8
[M]+	310.13119142	177.6
[M]-	310.13228858	177.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.