PubChemLite - 858131-70-1 (C48H32N2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6C7=CC=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18

InChI

InChI=1S/C48H32N2/c1-3-15-39(37(13-1)33-25-29-35(30-26-33)49-45-21-9-5-17-41(45)42-18-6-10-22-46(42)49)40-16-4-2-14-38(40)34-27-31-36(32-28-34)50-47-23-11-7-19-43(47)44-20-8-12-24-48(44)50/h1-32H

InChIKey

UXJDSNKBYFJNDO-UHFFFAOYSA-N

Compound name

9-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole

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]+	637.26381	257.7
[M+Na]+	659.24575	265.7
[M-H]-	635.24925	275.3
[M+NH4]+	654.29035	260.3
[M+K]+	675.21969	253.1
[M+H-H2O]+	619.25379	240.5
[M+HCOO]-	681.25473	272.6
[M+CH3COO]-	695.27038	262.1
[M+Na-2H]-	657.23120	254.7
[M]+	636.25598	258.1
[M]-	636.25708	258.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.26381

257.7

[M+Na]+

659.24575

265.7

[M-H]-

635.24925

275.3

[M+NH4]+

654.29035

260.3

[M+K]+

675.21969

253.1

[M+H-H2O]+

619.25379

240.5

[M+HCOO]-

681.25473

272.6

[M+CH3COO]-

695.27038

262.1

[M+Na-2H]-

657.23120

254.7

[M]+

636.25598

258.1

[M]-

636.25708

258.1

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

858131-70-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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