PubChemLite - Quinacrine (C23H30ClN3O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)

InChIKey

GPKJTRJOBQGKQK-UHFFFAOYSA-N

Compound name

4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-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]+	400.21501	199.7
[M+Na]+	422.19695	207.0
[M-H]-	398.20045	204.3
[M+NH4]+	417.24155	212.9
[M+K]+	438.17089	201.0
[M+H-H2O]+	382.20499	190.5
[M+HCOO]-	444.20593	216.2
[M+CH3COO]-	458.22158	234.7
[M+Na-2H]-	420.18240	203.2
[M]+	399.20718	208.3
[M]-	399.20828	208.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.21501

199.7

[M+Na]+

422.19695

207.0

[M-H]-

398.20045

204.3

[M+NH4]+

417.24155

212.9

[M+K]+

438.17089

201.0

[M+H-H2O]+

382.20499

190.5

[M+HCOO]-

444.20593

216.2

[M+CH3COO]-

458.22158

234.7

[M+Na-2H]-

420.18240

203.2

[M]+

399.20718

208.3

[M]-

399.20828

208.3

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

Quinacrine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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