PubChemLite - 1h-indole, 6-(4,5-dihydro-1h-imidazol-2-yl)-2-(4-(3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy)phenyl)- (C26H23N5O)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

NQSOKZXQDFTBHG-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-[3-(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.

1h-indole, 6-(4,5-dihydro-1h-imidazol-2-yl)-2-(4-(3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy)phenyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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