CID 29942140

173838-67-0

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(N=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H18N4O2/c25-19-16-7-1-2-8-17(16)20(26)24(19)11-4-3-10-23-13-18(22-14-23)15-6-5-9-21-12-15/h1-2,5-9,12-14H,3-4,10-11H2

InChIKey

MOYLFIZRERPAKM-UHFFFAOYSA-N

Compound name

2-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 346.14297 Da
Monoisotopic Mass: 1.9
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]+	347.150246	183.1
[M+Na]+	369.132188	192.2
[M-H]-	345.135694	189.2
[M+NH4]+	364.176793	195.0
[M+K]+	385.106128	185.7
[M+H-H2O]+	329.140230	172.0
[M+HCOO]-	391.141171	201.9
[M+CH3COO]-	405.156821	193.2
[M+Na-2H]-	367.117636	183.0
[M]+	346.14242142	185.4
[M]-	346.14351858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe