PubChemLite - 57102-51-9 (C48H32N2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=CC=C13

InChI

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

InChIKey

GVEOOAAZBOGDSN-UHFFFAOYSA-N

Compound name

9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]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.

57102-51-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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