PubChemLite - 10-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-10h-spiro[acridine-9,9'-fluorene] (C46H30N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6(C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C94)C1=CC=CC=C1

InChI

InChI=1S/C46H30N4/c1-3-15-31(16-4-1)43-47-44(32-17-5-2-6-18-32)49-45(48-43)33-27-29-34(30-28-33)50-41-25-13-11-23-39(41)46(40-24-12-14-26-42(40)50)37-21-9-7-19-35(37)36-20-8-10-22-38(36)46/h1-30H

InChIKey

VWCIQTDINBLQCY-UHFFFAOYSA-N

Compound name

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

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]+	639.25438	257.3
[M+Na]+	661.23632	263.6
[M-H]-	637.23982	269.7
[M+NH4]+	656.28092	256.8
[M+K]+	677.21026	249.9
[M+H-H2O]+	621.24436	234.2
[M+HCOO]-	683.24530	264.4
[M+CH3COO]-	697.26095	259.0
[M+Na-2H]-	659.22177	257.0
[M]+	638.24655	252.0
[M]-	638.24765	252.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

639.25438

257.3

[M+Na]+

661.23632

263.6

[M-H]-

637.23982

269.7

[M+NH4]+

656.28092

256.8

[M+K]+

677.21026

249.9

[M+H-H2O]+

621.24436

234.2

[M+HCOO]-

683.24530

264.4

[M+CH3COO]-

697.26095

259.0

[M+Na-2H]-

659.22177

257.0

[M]+

638.24655

252.0

[M]-

638.24765

252.0

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

10-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-10h-spiro[acridine-9,9'-fluorene]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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