CID 38141

Icr 377

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃O

SMILES

CCN(CCCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl

InChI

InChI=1S/C21H26ClN3O/c1-3-25(15-12-22)14-7-13-23-20-16-8-4-5-10-18(16)24-21-17(20)9-6-11-19(21)26-2/h4-6,8-11H,3,7,12-15H2,1-2H3,(H,23,24)

InChIKey

FVIGQABXIBJWLI-UHFFFAOYSA-N

Compound name

N'-(2-chloroethyl)-N'-ethyl-N-(4-methoxyacridin-9-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.17645 Da
Monoisotopic Mass: 4.8
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]+	372.183726	189.4
[M+Na]+	394.165668	197.1
[M-H]-	370.169174	193.9
[M+NH4]+	389.210273	203.6
[M+K]+	410.139608	190.8
[M+H-H2O]+	354.173710	180.2
[M+HCOO]-	416.174651	207.6
[M+CH3COO]-	430.190301	226.8
[M+Na-2H]-	392.151116	196.0
[M]+	371.17590142	197.5
[M]-	371.17699858	197.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.