CID 4560580

116453-89-5

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

CCCCOC1=C(C(=C(C2=CC=CC=C21)OCCCC)C#N)C#N

InChI

InChI=1S/C20H22N2O2/c1-3-5-11-23-19-15-9-7-8-10-16(15)20(24-12-6-4-2)18(14-22)17(19)13-21/h7-10H,3-6,11-12H2,1-2H3

InChIKey

YXJSABMTZAXNKC-UHFFFAOYSA-N

Compound name

1,4-dibutoxynaphthalene-2,3-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 322.16812 Da
Monoisotopic Mass: 5.1
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]+	323.17540	192.3
[M+Na]+	345.15734	201.6
[M+NH4]+	340.20194	192.7
[M+K]+	361.13128	189.4
[M-H]-	321.16084	182.9
[M+Na-2H]-	343.14279	190.7
[M]+	322.16757	189.8
[M]-	322.16867	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe