PubChemLite - 6-(4,5-dihydro-1h-imidazol-2-yl)-2-[(e)-2-[6-(4,5-dihydro-1h-imidazol-2-yl)-1h-indol-2-yl]vinyl]-1h-indole (C24H22N6)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC3=C(C=C2)C=C(N3)/C=C/C4=CC5=C(N4)C=C(C=C5)C6=NCCN6

InChI

InChI=1S/C24H22N6/c1-3-17(23-25-7-8-26-23)13-21-15(1)11-19(29-21)5-6-20-12-16-2-4-18(14-22(16)30-20)24-27-9-10-28-24/h1-6,11-14,29-30H,7-10H2,(H,25,26)(H,27,28)/b6-5+

InChIKey

IOVATJAOKLNFKP-AATRIKPKSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(E)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-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]+	395.19786	187.4
[M+Na]+	417.17980	196.0
[M-H]-	393.18330	192.8
[M+NH4]+	412.22440	196.8
[M+K]+	433.15374	186.0
[M+H-H2O]+	377.18784	177.8
[M+HCOO]-	439.18878	200.5
[M+CH3COO]-	453.20443	195.1
[M+Na-2H]-	415.16525	182.7
[M]+	394.19003	183.9
[M]-	394.19113	183.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.19786

187.4

[M+Na]+

417.17980

196.0

[M-H]-

393.18330

192.8

[M+NH4]+

412.22440

196.8

[M+K]+

433.15374

186.0

[M+H-H2O]+

377.18784

177.8

[M+HCOO]-

439.18878

200.5

[M+CH3COO]-

453.20443

195.1

[M+Na-2H]-

415.16525

182.7

[M]+

394.19003

183.9

[M]-

394.19113

183.9

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

6-(4,5-dihydro-1h-imidazol-2-yl)-2-[(e)-2-[6-(4,5-dihydro-1h-imidazol-2-yl)-1h-indol-2-yl]vinyl]-1h-indole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe