PubChemLite - 1141757-83-6 (C54H35N3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=C2C=CC(=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1

InChI

InChI=1S/C54H35N3/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-35H

InChIKey

FXKMXDQBHDTQII-UHFFFAOYSA-N

Compound name

9-phenyl-3,6-bis(9-phenylcarbazol-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]+	726.29038	259.5
[M+Na]+	748.27232	267.2
[M-H]-	724.27582	277.9
[M+NH4]+	743.31692	260.6
[M+K]+	764.24626	255.2
[M+H-H2O]+	708.28036	242.4
[M+HCOO]-	770.28130	271.5
[M+CH3COO]-	784.29695	262.8
[M+Na-2H]-	746.25777	253.9
[M]+	725.28255	261.5
[M]-	725.28365	261.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

726.29038

259.5

[M+Na]+

748.27232

267.2

[M-H]-

724.27582

277.9

[M+NH4]+

743.31692

260.6

[M+K]+

764.24626

255.2

[M+H-H2O]+

708.28036

242.4

[M+HCOO]-

770.28130

271.5

[M+CH3COO]-

784.29695

262.8

[M+Na-2H]-

746.25777

253.9

[M]+

725.28255

261.5

[M]-

725.28365

261.5

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

1141757-83-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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