CID 10253254

Chembl211313

Structural Information

Molecular Formula

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCNC4=C5CCCCC5=NC6=CC=CC=C64

InChI

InChI=1S/C30H34N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,33)(H,32,34)

InChIKey

RUTSCXRBSZSXSL-UHFFFAOYSA-N

Compound name

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine

Related CIDs

2D Structure

1
Annotation Hits: 5
References: 2
Patents: 450.27835 Da
Monoisotopic Mass: 7.3
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]+	451.28563	204.2
[M+Na]+	473.26757	207.0
[M-H]-	449.27107	208.5
[M+NH4]+	468.31217	212.2
[M+K]+	489.24151	197.3
[M+H-H2O]+	433.27561	189.8
[M+HCOO]-	495.27655	216.0
[M+CH3COO]-	509.29220	209.3
[M+Na-2H]-	471.25302	211.1
[M]+	450.27780	199.4
[M]-	450.27890	199.4

Literature stripe

Patent stripe