PubChemLite - 73680-44-1 (C29H34ClN3O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCC(C1=CC=C(C=C1)OC)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC

InChI

InChI=1S/C29H34ClN3O2/c1-5-33(6-2)17-7-8-26(20-9-12-22(34-3)13-10-20)32-29-24-15-11-21(30)18-28(24)31-27-16-14-23(35-4)19-25(27)29/h9-16,18-19,26H,5-8,17H2,1-4H3,(H,31,32)

InChIKey

QUFMJDSPVCLFAK-UHFFFAOYSA-N

Compound name

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-methoxyphenyl)butane-1,4-diamine

Related CIDs

2D Structure

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]+	492.24123	224.3
[M+Na]+	514.22317	230.4
[M-H]-	490.22667	231.5
[M+NH4]+	509.26777	232.9
[M+K]+	530.19711	223.9
[M+H-H2O]+	474.23121	212.5
[M+HCOO]-	536.23215	239.7
[M+CH3COO]-	550.24780	251.1
[M+Na-2H]-	512.20862	226.4
[M]+	491.23340	233.8
[M]-	491.23450	233.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.24123

224.3

[M+Na]+

514.22317

230.4

[M-H]-

490.22667

231.5

[M+NH4]+

509.26777

232.9

[M+K]+

530.19711

223.9

[M+H-H2O]+

474.23121

212.5

[M+HCOO]-

536.23215

239.7

[M+CH3COO]-

550.24780

251.1

[M+Na-2H]-

512.20862

226.4

[M]+

491.23340

233.8

[M]-

491.23450

233.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

73680-44-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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