CID 46667

64046-82-8

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃O

SMILES

CC(CCCN(C)C)NC1=C2C(=CC(=C1)OC)C=C3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C21H26ClN3O/c1-14(6-5-9-25(2)3)23-20-13-18(26-4)12-16-10-15-11-17(22)7-8-19(15)24-21(16)20/h7-8,10-14,23H,5-6,9H2,1-4H3

InChIKey

VZLSHAUEBAEMHM-UHFFFAOYSA-N

Compound name

4-N-(7-chloro-2-methoxyacridin-4-yl)-1-N,1-N-dimethylpentane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.17645 Da
Monoisotopic Mass: 5.3
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]+	372.183726	190.4
[M+Na]+	394.165668	198.7
[M-H]-	370.169174	195.5
[M+NH4]+	389.210273	204.8
[M+K]+	410.139608	193.1
[M+H-H2O]+	354.173710	181.7
[M+HCOO]-	416.174651	207.6
[M+CH3COO]-	430.190301	228.9
[M+Na-2H]-	392.151116	195.1
[M]+	371.17590142	198.4
[M]-	371.17699858	198.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.