CID 387193

Nsc680734

Structural Information

Molecular Formula

C₂₀H₁₇N₃O₂

SMILES

CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4

InChI

InChI=1S/C20H17N3O2/c1-23(2)11-9-13-12-6-3-4-8-15(12)22-18-16(13)20(25)17-14(19(18)24)7-5-10-21-17/h3-8,10H,9,11H2,1-2H3

InChIKey

CFHWMIRGIMFRIH-UHFFFAOYSA-N

Compound name

11-[2-(dimethylamino)ethyl]pyrido[2,3-b]acridine-5,12-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 331.13208 Da
Monoisotopic Mass: 3.0
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]+	332.13936	178.3
[M+Na]+	354.12130	187.7
[M-H]-	330.12480	183.1
[M+NH4]+	349.16590	192.8
[M+K]+	370.09524	182.2
[M+H-H2O]+	314.12934	167.8
[M+HCOO]-	376.13028	196.1
[M+CH3COO]-	390.14593	188.8
[M+Na-2H]-	352.10675	185.0
[M]+	331.13153	181.2
[M]-	331.13263	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe