PubChemLite - 2-amino-4-nicotinamido-6-(6-benzyloxy-2-naphthyl)-s-triazine (C26H20N6O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(C=C3)C4=NC(=NC(=N4)NC(=O)C5=CN=CC=C5)N

InChI

InChI=1S/C26H20N6O2/c27-25-29-23(30-26(32-25)31-24(33)21-7-4-12-28-15-21)20-9-8-19-14-22(11-10-18(19)13-20)34-16-17-5-2-1-3-6-17/h1-15H,16H2,(H3,27,29,30,31,32,33)

InChIKey

VHZGMOWFCIAKLQ-UHFFFAOYSA-N

Compound name

N-[4-amino-6-(6-phenylmethoxynaphthalen-2-yl)-1,3,5-triazin-2-yl]pyridine-3-carboxamide

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]+	449.17204	207.7
[M+Na]+	471.15398	213.9
[M-H]-	447.15748	215.1
[M+NH4]+	466.19858	209.6
[M+K]+	487.12792	205.3
[M+H-H2O]+	431.16202	192.7
[M+HCOO]-	493.16296	224.7
[M+CH3COO]-	507.17861	214.0
[M+Na-2H]-	469.13943	214.4
[M]+	448.16421	206.2
[M]-	448.16531	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.17204

207.7

[M+Na]+

471.15398

213.9

[M-H]-

447.15748

215.1

[M+NH4]+

466.19858

209.6

[M+K]+

487.12792

205.3

[M+H-H2O]+

431.16202

192.7

[M+HCOO]-

493.16296

224.7

[M+CH3COO]-

507.17861

214.0

[M+Na-2H]-

469.13943

214.4

[M]+

448.16421

206.2

[M]-

448.16531

206.2

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

2-amino-4-nicotinamido-6-(6-benzyloxy-2-naphthyl)-s-triazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe