PubChemLite - 73819-62-2 (C28H24N4O2)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC=C(C=C2)OC3=CC=C(C=C3)/C=C/C4=CC5=C(O4)C=CC(=C5)C6=NCCN6

InChI

InChI=1S/C28H24N4O2/c1-7-23(33-24-10-4-20(5-11-24)27-29-13-14-30-27)8-2-19(1)3-9-25-18-22-17-21(6-12-26(22)34-25)28-31-15-16-32-28/h1-12,17-18H,13-16H2,(H,29,30)(H,31,32)/b9-3+

InChIKey

UAGSMJSVXVQBGC-YCRREMRBSA-N

Compound name

2-[4-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]phenoxy]phenyl]-4,5-dihydro-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]+	449.19718	202.0
[M+Na]+	471.17912	208.7
[M-H]-	447.18262	212.9
[M+NH4]+	466.22372	208.1
[M+K]+	487.15306	200.8
[M+H-H2O]+	431.18716	191.1
[M+HCOO]-	493.18810	217.3
[M+CH3COO]-	507.20375	209.8
[M+Na-2H]-	469.16457	198.2
[M]+	448.18935	200.7
[M]-	448.19045	200.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.19718

202.0

[M+Na]+

471.17912

208.7

[M-H]-

447.18262

212.9

[M+NH4]+

466.22372

208.1

[M+K]+

487.15306

200.8

[M+H-H2O]+

431.18716

191.1

[M+HCOO]-

493.18810

217.3

[M+CH3COO]-

507.20375

209.8

[M+Na-2H]-

469.16457

198.2

[M]+

448.18935

200.7

[M]-

448.19045

200.7

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

73819-62-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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