CID 416254

Ns00116183

Structural Information

Molecular Formula

C₂₂H₂₈ClN₃O

SMILES

CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)O

InChI

InChI=1S/C22H28ClN3O/c1-4-26(5-2)12-6-7-15(3)24-22-18-10-8-16(23)13-21(18)25-20-11-9-17(27)14-19(20)22/h8-11,13-15,27H,4-7,12H2,1-3H3,(H,24,25)

InChIKey

YKEDRCDYDREDNL-UHFFFAOYSA-N

Compound name

6-chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 385.19208 Da
Monoisotopic Mass: 5.7
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]+	386.199356	194.5
[M+Na]+	408.181298	201.9
[M-H]-	384.184804	198.0
[M+NH4]+	403.225903	207.6
[M+K]+	424.155238	195.3
[M+H-H2O]+	368.189340	186.0
[M+HCOO]-	430.190281	209.9
[M+CH3COO]-	444.205931	229.5
[M+Na-2H]-	406.166746	198.3
[M]+	385.19153142	201.0
[M]-	385.19262858	201.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.