CID 511176

Schembl17423294

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O

SMILES

CC(C)(CN)CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H22ClN3O/c1-19(2,10-21)11-22-18-14-6-4-12(20)8-17(14)23-16-7-5-13(24-3)9-15(16)18/h4-9H,10-11,21H2,1-3H3,(H,22,23)

InChIKey

LMFXAZUXTDHAEX-UHFFFAOYSA-N

Compound name

N'-(6-chloro-2-methoxyacridin-9-yl)-2,2-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 343.14514 Da
Monoisotopic Mass: 4.9
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]+	344.152416	183.1
[M+Na]+	366.134358	192.9
[M-H]-	342.137864	186.9
[M+NH4]+	361.178963	198.0
[M+K]+	382.108298	186.1
[M+H-H2O]+	326.142400	175.5
[M+HCOO]-	388.143341	199.2
[M+CH3COO]-	402.158991	218.9
[M+Na-2H]-	364.119806	190.4
[M]+	343.14459142	188.3
[M]-	343.14568858	188.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe