PubChemLite - 5-(2-imidazolin-2-yl)-2-[5-(5-(2-imidazolin-2-yl)benzimidazol-2-yl)-1-methylpyrrol-2-yl]benzimidazole (C25H23N9)

Structural Information

Molecular Formula

SMILES

CN1C(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NCCN4)C5=NC6=C(N5)C=C(C=C6)C7=NCCN7

InChI

InChI=1S/C25H23N9/c1-34-20(24-30-16-4-2-14(12-18(16)32-24)22-26-8-9-27-22)6-7-21(34)25-31-17-5-3-15(13-19(17)33-25)23-28-10-11-29-23/h2-7,12-13H,8-11H2,1H3,(H,26,27)(H,28,29)(H,30,32)(H,31,33)

InChIKey

CKIZTXCCPQNRFP-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1-methylpyrrol-2-yl]-1H-benzimidazole

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]+	450.21492	192.0
[M+Na]+	472.19686	201.6
[M-H]-	448.20036	199.9
[M+NH4]+	467.24146	197.5
[M+K]+	488.17080	193.0
[M+H-H2O]+	432.20490	182.5
[M+HCOO]-	494.20584	203.0
[M+CH3COO]-	508.22149	199.2
[M+Na-2H]-	470.18231	183.4
[M]+	449.20709	191.1
[M]-	449.20819	191.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.21492

192.0

[M+Na]+

472.19686

201.6

[M-H]-

448.20036

199.9

[M+NH4]+

467.24146

197.5

[M+K]+

488.17080

193.0

[M+H-H2O]+

432.20490

182.5

[M+HCOO]-

494.20584

203.0

[M+CH3COO]-

508.22149

199.2

[M+Na-2H]-

470.18231

183.4

[M]+

449.20709

191.1

[M]-

449.20819

191.1

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

5-(2-imidazolin-2-yl)-2-[5-(5-(2-imidazolin-2-yl)benzimidazol-2-yl)-1-methylpyrrol-2-yl]benzimidazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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