PubChemLite - 35171-26-7 (C35H23N7)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

VPFRKCLANRPJBN-UHFFFAOYSA-N

Compound name

3-[2-(5,6-diphenyl-1,2,4-triazin-3-yl)pyridin-4-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	235.2
[M+Na]+	564.19072	259.4
[M+NH4]+	559.23532	241.2
[M+K]+	580.16466	246.2
[M-H]-	540.19422	247.7
[M+Na-2H]-	562.17617	254.1
[M]+	541.20095	242.8
[M]-	541.20205	242.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

542.20878

235.2

[M+Na]+

564.19072

259.4

[M+NH4]+

559.23532

241.2

[M+K]+

580.16466

246.2

[M-H]-

540.19422

247.7

[M+Na-2H]-

562.17617

254.1

[M]+

541.20095

242.8

[M]-

541.20205

242.8

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

35171-26-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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