PubChemLite - (3z)-5-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propylimino]-n-phenyl-phenazin-2-amine (C32H33ClN6)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)CCCN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=CC=C6

InChI

InChI=1S/C32H33ClN6/c1-37-18-20-38(21-19-37)17-7-16-34-28-23-32-30(22-29(28)35-25-8-3-2-4-9-25)36-27-10-5-6-11-31(27)39(32)26-14-12-24(33)13-15-26/h2-6,8-15,22-23,35H,7,16-21H2,1H3

InChIKey

DJMZEKSXRWYDPD-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propylimino]-N-phenylphenazin-2-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]+	537.25282	234.1
[M+Na]+	559.23476	239.3
[M-H]-	535.23826	241.4
[M+NH4]+	554.27936	235.2
[M+K]+	575.20870	227.7
[M+H-H2O]+	519.24280	216.5
[M+HCOO]-	581.24374	242.2
[M+CH3COO]-	595.25939	237.8
[M+Na-2H]-	557.22021	236.9
[M]+	536.24499	232.4
[M]-	536.24609	232.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.25282

234.1

[M+Na]+

559.23476

239.3

[M-H]-

535.23826

241.4

[M+NH4]+

554.27936

235.2

[M+K]+

575.20870

227.7

[M+H-H2O]+

519.24280

216.5

[M+HCOO]-

581.24374

242.2

[M+CH3COO]-

595.25939

237.8

[M+Na-2H]-

557.22021

236.9

[M]+

536.24499

232.4

[M]-

536.24609

232.4

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

(3z)-5-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propylimino]-n-phenyl-phenazin-2-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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