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]+	400.215006	199.7
[M+Na]+	422.196948	207.0
[M-H]-	398.200454	204.3
[M+NH4]+	417.241553	212.9
[M+K]+	438.170888	201.0
[M+H-H2O]+	382.204990	190.5
[M+HCOO]-	444.205931	216.2
[M+CH3COO]-	458.221581	234.7
[M+Na-2H]-	420.182396	203.2
[M]+	399.20718142	208.3
[M]-	399.20827858	208.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.215006

199.7

[M+Na]+

422.196948

207.0

[M-H]-

398.200454

204.3

[M+NH4]+

417.241553

212.9

[M+K]+

438.170888

201.0

[M+H-H2O]+

382.204990

190.5

[M+HCOO]-

444.205931

216.2

[M+CH3COO]-

458.221581

234.7

[M+Na-2H]-

420.182396

203.2

[M]+

399.20718142

208.3

[M]-

399.20827858

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

Patent stripe