CID 87935

Solvent yellow 43

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

CCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCC

InChI

InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3

InChIKey

DXWHZJXKTHGHQF-UHFFFAOYSA-N

Compound name

2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 992
Patents: 324.18378 Da
Monoisotopic Mass: 4.6
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]+	325.19106	179.7
[M+Na]+	347.17300	186.9
[M-H]-	323.17650	182.3
[M+NH4]+	342.21760	195.0
[M+K]+	363.14694	181.3
[M+H-H2O]+	307.18104	171.0
[M+HCOO]-	369.18198	197.5
[M+CH3COO]-	383.19763	217.3
[M+Na-2H]-	345.15845	183.5
[M]+	324.18323	182.9
[M]-	324.18433	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe