PubChemLite - 1955543-57-3 (C42H31N3)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C

InChI

InChI=1S/C42H31N3/c1-42(2)37-22-10-9-21-35(37)36-24-23-33(27-38(36)42)31-18-11-17-30(25-31)32-19-12-20-34(26-32)41-44-39(28-13-5-3-6-14-28)43-40(45-41)29-15-7-4-8-16-29/h3-27H,1-2H3

InChIKey

CUDDLYMAQMEZDS-UHFFFAOYSA-N

Compound name

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

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]+	578.25908	252.5
[M+Na]+	600.24102	260.0
[M-H]-	576.24452	267.1
[M+NH4]+	595.28562	254.8
[M+K]+	616.21496	247.5
[M+H-H2O]+	560.24906	232.9
[M+HCOO]-	622.25000	265.5
[M+CH3COO]-	636.26565	256.8
[M+Na-2H]-	598.22647	250.6
[M]+	577.25125	250.1
[M]-	577.25235	250.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

578.25908

252.5

[M+Na]+

600.24102

260.0

[M-H]-

576.24452

267.1

[M+NH4]+

595.28562

254.8

[M+K]+

616.21496

247.5

[M+H-H2O]+

560.24906

232.9

[M+HCOO]-

622.25000

265.5

[M+CH3COO]-

636.26565

256.8

[M+Na-2H]-

598.22647

250.6

[M]+

577.25125

250.1

[M]-

577.25235

250.1

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

1955543-57-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe