2-[(2s)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2s)-pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazole (C26H28N6)

Structural Information

Molecular Formula

SMILES

C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6

InChI

InChI=1S/C26H28N6/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1

InChIKey

UXYVOBIJTHABEM-VXKWHMMOSA-N

Compound name

2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

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]+	425.244826	190.9
[M+Na]+	447.226768	195.0
[M-H]-	423.230274	199.3
[M+NH4]+	442.271373	196.2
[M+K]+	463.200708	186.0
[M+H-H2O]+	407.234810	179.3
[M+HCOO]-	469.235751	202.0
[M+CH3COO]-	483.251401	197.0
[M+Na-2H]-	445.212216	182.0
[M]+	424.23700142	182.1
[M]-	424.23809858	182.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.244826

190.9

[M+Na]+

447.226768

195.0

[M-H]-

423.230274

199.3

[M+NH4]+

442.271373

196.2

[M+K]+

463.200708

186.0

[M+H-H2O]+

407.234810

179.3

[M+HCOO]-

469.235751

202.0

[M+CH3COO]-

483.251401

197.0

[M+Na-2H]-

445.212216

182.0

[M]+

424.23700142

182.1

[M]-

424.23809858

182.1

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

2-[(2s)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2s)-pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe