PubChemLite - 20572-37-6 (C39H23N3O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=NC(=NC(=N3)C4=CC5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)C8=C(C=CC9=CC=CC=C98)O)O

InChI

InChI=1S/C39H23N3O2/c43-31-18-16-22-6-1-3-10-29(22)35(31)38-40-37(41-39(42-38)36-30-11-4-2-7-23(30)17-19-32(36)44)28-20-26-14-12-24-8-5-9-25-13-15-27(21-28)34(26)33(24)25/h1-21,43-44H

InChIKey

JZVCGHFXWNOTKM-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxynaphthalen-1-yl)-6-pyren-2-yl-1,3,5-triazin-2-yl]naphthalen-2-ol

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]+	566.18628	247.9
[M+Na]+	588.16822	273.6
[M+NH4]+	583.21282	257.5
[M+K]+	604.14216	257.9
[M-H]-	564.17172	259.5
[M+Na-2H]-	586.15367	258.9
[M]+	565.17845	255.9
[M]-	565.17955	255.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

566.18628

247.9

[M+Na]+

588.16822

273.6

[M+NH4]+

583.21282

257.5

[M+K]+

604.14216

257.9

[M-H]-

564.17172

259.5

[M+Na-2H]-

586.15367

258.9

[M]+

565.17845

255.9

[M]-

565.17955

255.9

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

20572-37-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe