CID 56825

94887-58-8

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₂

SMILES

CCN(CC)CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C18H20N2O2/c1-3-19(4-2)11-12-20-17(21)14-9-5-7-13-8-6-10-15(16(13)14)18(20)22/h5-10H,3-4,11-12H2,1-2H3

InChIKey

KKXSSCKTKDQRIB-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 296.15247 Da
Monoisotopic Mass: 2.9
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]+	297.15975	170.1
[M+Na]+	319.14169	177.4
[M-H]-	295.14519	174.2
[M+NH4]+	314.18629	186.9
[M+K]+	335.11563	173.5
[M+H-H2O]+	279.14973	161.4
[M+HCOO]-	341.15067	189.2
[M+CH3COO]-	355.16632	213.4
[M+Na-2H]-	317.12714	175.1
[M]+	296.15192	173.5
[M]-	296.15302	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe