PubChemLite - Tetrazinc; platinum(2+); trifluoromethanesulfonic acid; (4z,9z,14z,19z)-5,10,15-triphenyl-20-(4-pyridyl)porphyrin (C43H27N5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C9=CC=CC=C9

InChI

InChI=1S/C43H27N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27H

InChIKey

KJNPTEIPQXCDDL-UHFFFAOYSA-N

Compound name

5,10,15-triphenyl-20-pyridin-4-ylporphyrin

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]+	614.23388	214.5
[M+Na]+	636.21582	222.4
[M-H]-	612.21932	225.6
[M+NH4]+	631.26042	218.8
[M+K]+	652.18976	214.9
[M+H-H2O]+	596.22386	206.3
[M+HCOO]-	658.22480	228.4
[M+CH3COO]-	672.24045	220.5
[M+Na-2H]-	634.20127	211.0
[M]+	613.22605	218.5
[M]-	613.22715	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

614.23388

214.5

[M+Na]+

636.21582

222.4

[M-H]-

612.21932

225.6

[M+NH4]+

631.26042

218.8

[M+K]+

652.18976

214.9

[M+H-H2O]+

596.22386

206.3

[M+HCOO]-

658.22480

228.4

[M+CH3COO]-

672.24045

220.5

[M+Na-2H]-

634.20127

211.0

[M]+

613.22605

218.5

[M]-

613.22715

218.5

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

Tetrazinc; platinum(2+); trifluoromethanesulfonic acid; (4z,9z,14z,19z)-5,10,15-triphenyl-20-(4-pyridyl)porphyrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe