PubChemLite - Hexaphenylisomelamine (C39H30N6)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N=C2N(C(=NC3=CC=CC=C3)N(C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H30N6/c1-7-19-31(20-8-1)40-37-43(34-25-13-4-14-26-34)38(41-32-21-9-2-10-22-32)45(36-29-17-6-18-30-36)39(42-33-23-11-3-12-24-33)44(37)35-27-15-5-16-28-35/h1-30H

InChIKey

MBZKVOZDQXHTIK-UHFFFAOYSA-N

Compound name

2-N,4-N,6-N,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine

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]+	583.26048	248.0
[M+Na]+	605.24242	270.7
[M+NH4]+	600.28702	255.3
[M+K]+	621.21636	255.1
[M-H]-	581.24592	264.8
[M+Na-2H]-	603.22787	268.2
[M]+	582.25265	256.5
[M]-	582.25375	256.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.26048

248.0

[M+Na]+

605.24242

270.7

[M+NH4]+

600.28702

255.3

[M+K]+

621.21636

255.1

[M-H]-

581.24592

264.8

[M+Na-2H]-

603.22787

268.2

[M]+

582.25265

256.5

[M]-

582.25375

256.5

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

Hexaphenylisomelamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe