PubChemLite - 73819-48-4 (C26H23N5O)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4=CC5=C(N4)C=C(C=C5)C6=NCCN6

InChI

InChI=1S/C26H23N5O/c1-2-20(26-29-13-14-30-26)16-24-19(1)15-23(31-24)17-3-7-21(8-4-17)32-22-9-5-18(6-10-22)25-27-11-12-28-25/h1-10,15-16,31H,11-14H2,(H,27,28)(H,29,30)

InChIKey

TWSUYVHDYBVBRD-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole

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]+	422.19753	193.5
[M+Na]+	444.17947	200.3
[M-H]-	420.18297	201.8
[M+NH4]+	439.22407	200.1
[M+K]+	460.15341	190.7
[M+H-H2O]+	404.18751	182.0
[M+HCOO]-	466.18845	207.4
[M+CH3COO]-	480.20410	200.9
[M+Na-2H]-	442.16492	190.4
[M]+	421.18970	189.5
[M]-	421.19080	189.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.19753

193.5

[M+Na]+

444.17947

200.3

[M-H]-

420.18297

201.8

[M+NH4]+

439.22407

200.1

[M+K]+

460.15341

190.7

[M+H-H2O]+

404.18751

182.0

[M+HCOO]-

466.18845

207.4

[M+CH3COO]-

480.20410

200.9

[M+Na-2H]-

442.16492

190.4

[M]+

421.18970

189.5

[M]-

421.19080

189.5

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

73819-48-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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