PubChemLite - 2,6-bis(5,6-diphenyl-1,2,4-triazin-3-yl)pyridine (C35H23N7)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=NC(=CC=C3)C4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C35H23N7/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-41-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-42-35)27-20-11-4-12-21-27/h1-23H

InChIKey

MAHACDPJCRWPOT-UHFFFAOYSA-N

Compound name

3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)pyridin-2-yl]-5,6-diphenyl-1,2,4-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]+	542.20878	237.8
[M+Na]+	564.19072	244.1
[M-H]-	540.19422	247.3
[M+NH4]+	559.23532	229.9
[M+K]+	580.16466	229.4
[M+H-H2O]+	524.19876	217.1
[M+HCOO]-	586.19970	247.7
[M+CH3COO]-	600.21535	240.2
[M+Na-2H]-	562.17617	242.1
[M]+	541.20095	232.7
[M]-	541.20205	232.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

542.20878

237.8

[M+Na]+

564.19072

244.1

[M-H]-

540.19422

247.3

[M+NH4]+

559.23532

229.9

[M+K]+

580.16466

229.4

[M+H-H2O]+

524.19876

217.1

[M+HCOO]-

586.19970

247.7

[M+CH3COO]-

600.21535

240.2

[M+Na-2H]-

562.17617

242.1

[M]+

541.20095

232.7

[M]-

541.20205

232.7

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

2,6-bis(5,6-diphenyl-1,2,4-triazin-3-yl)pyridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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