PubChemLite - 1032174-52-9 (C60H42N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C14

InChI

InChI=1S/C60H42N4/c1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-42H

InChIKey

ILVOXYIIGGYMCI-UHFFFAOYSA-N

Compound name

N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline

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]+	819.34822	269.0
[M+Na]+	841.33016	270.1
[M-H]-	817.33366	289.2
[M+NH4]+	836.37476	263.1
[M+K]+	857.30410	260.8
[M+H-H2O]+	801.33820	249.1
[M+HCOO]-	863.33914	282.0
[M+CH3COO]-	877.35479	269.5
[M+Na-2H]-	839.31561	266.4
[M]+	818.34039	267.1
[M]-	818.34149	267.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

819.34822

269.0

[M+Na]+

841.33016

270.1

[M-H]-

817.33366

289.2

[M+NH4]+

836.37476

263.1

[M+K]+

857.30410

260.8

[M+H-H2O]+

801.33820

249.1

[M+HCOO]-

863.33914

282.0

[M+CH3COO]-

877.35479

269.5

[M+Na-2H]-

839.31561

266.4

[M]+

818.34039

267.1

[M]-

818.34149

267.1

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

1032174-52-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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