PubChemLite - Dcztrz (C45H29N5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C1

InChI

InChI=1S/C45H29N5/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50/h1-29H

InChIKey

SWUBEMMFTUPINB-UHFFFAOYSA-N

Compound name

9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)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]+	640.24958	260.6
[M+Na]+	662.23152	286.7
[M+NH4]+	657.27612	269.5
[M+K]+	678.20546	273.8
[M-H]-	638.23502	275.0
[M+Na-2H]-	660.21697	275.3
[M]+	639.24175	269.4
[M]-	639.24285	269.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

640.24958

260.6

[M+Na]+

662.23152

286.7

[M+NH4]+

657.27612

269.5

[M+K]+

678.20546

273.8

[M-H]-

638.23502

275.0

[M+Na-2H]-

660.21697

275.3

[M]+

639.24175

269.4

[M]-

639.24285

269.4

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

Dcztrz

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe