PubChemLite - (3z)-5-(4-chlorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethylimino]-n-phenyl-phenazin-2-amine (C31H30ClN5)

Structural Information

Molecular Formula

SMILES

CN1CCCC1CCN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=CC=C6

InChI

InChI=1S/C31H30ClN5/c1-36-19-7-10-24(36)17-18-33-27-21-31-29(20-28(27)34-23-8-3-2-4-9-23)35-26-11-5-6-12-30(26)37(31)25-15-13-22(32)14-16-25/h2-6,8-9,11-16,20-21,24,34H,7,10,17-19H2,1H3

InChIKey

QIEFGRSEJWNPNR-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethylimino]-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]+	508.22624	226.5
[M+Na]+	530.20818	233.3
[M-H]-	506.21168	236.7
[M+NH4]+	525.25278	232.6
[M+K]+	546.18212	222.3
[M+H-H2O]+	490.21622	211.4
[M+HCOO]-	552.21716	239.1
[M+CH3COO]-	566.23281	232.6
[M+Na-2H]-	528.19363	227.3
[M]+	507.21841	226.9
[M]-	507.21951	226.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.22624

226.5

[M+Na]+

530.20818

233.3

[M-H]-

506.21168

236.7

[M+NH4]+

525.25278

232.6

[M+K]+

546.18212

222.3

[M+H-H2O]+

490.21622

211.4

[M+HCOO]-

552.21716

239.1

[M+CH3COO]-

566.23281

232.6

[M+Na-2H]-

528.19363

227.3

[M]+

507.21841

226.9

[M]-

507.21951

226.9

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-[2-(1-methylpyrrolidin-2-yl)ethylimino]-n-phenyl-phenazin-2-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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