PubChemLite - 216308-23-5 (C23H20N6O)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=NC5=C(N4)C=C(C=C5)C6=NCCN6

InChI

InChI=1S/C23H20N6O/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29)

InChIKey

YZJPVWWVBOFEMQ-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-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]+	397.17714	183.0
[M+Na]+	419.15908	191.0
[M-H]-	395.16258	192.1
[M+NH4]+	414.20368	190.2
[M+K]+	435.13302	184.2
[M+H-H2O]+	379.16712	173.2
[M+HCOO]-	441.16806	196.9
[M+CH3COO]-	455.18371	191.5
[M+Na-2H]-	417.14453	177.7
[M]+	396.16931	180.6
[M]-	396.17041	180.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.17714

183.0

[M+Na]+

419.15908

191.0

[M-H]-

395.16258

192.1

[M+NH4]+

414.20368

190.2

[M+K]+

435.13302

184.2

[M+H-H2O]+

379.16712

173.2

[M+HCOO]-

441.16806

196.9

[M+CH3COO]-

455.18371

191.5

[M+Na-2H]-

417.14453

177.7

[M]+

396.16931

180.6

[M]-

396.17041

180.6

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

216308-23-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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