PubChemLite - N,n'-bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine (C38H40Cl2N6O2)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC

InChI

InChI=1S/C38H40Cl2N6O2/c1-47-27-7-11-33-31(23-27)37(29-9-5-25(39)21-35(29)43-33)41-13-3-15-45-17-19-46(20-18-45)16-4-14-42-38-30-10-6-26(40)22-36(30)44-34-12-8-28(48-2)24-32(34)38/h5-12,21-24H,3-4,13-20H2,1-2H3,(H,41,43)(H,42,44)

InChIKey

GUTKNTSGEOMFPZ-UHFFFAOYSA-N

Compound name

6-chloro-N-[3-[4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-methoxyacridin-9-amine

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]+	683.26628	259.6
[M+Na]+	705.24822	265.7
[M-H]-	681.25172	264.0
[M+NH4]+	700.29282	257.4
[M+K]+	721.22216	255.6
[M+H-H2O]+	665.25626	241.6
[M+HCOO]-	727.25720	260.0
[M+CH3COO]-	741.27285	261.0
[M+Na-2H]-	703.23367	262.2
[M]+	682.25845	266.6
[M]-	682.25955	266.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.26628

259.6

[M+Na]+

705.24822

265.7

[M-H]-

681.25172

264.0

[M+NH4]+

700.29282

257.4

[M+K]+

721.22216

255.6

[M+H-H2O]+

665.25626

241.6

[M+HCOO]-

727.25720

260.0

[M+CH3COO]-

741.27285

261.0

[M+Na-2H]-

703.23367

262.2

[M]+

682.25845

266.6

[M]-

682.25955

266.6

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

N,n'-bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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