PubChemLite - Meso-tetra(2-pyridyl)porphine (C40H26N8)

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=N7)C8=CC=CC=N8)C9=CC=CC=N9)N3

InChI

InChI=1S/C40H26N8/c1-5-21-41-25(9-1)37-29-13-15-31(45-29)38(26-10-2-6-22-42-26)33-17-19-35(47-33)40(28-12-4-8-24-44-28)36-20-18-34(48-36)39(27-11-3-7-23-43-27)32-16-14-30(37)46-32/h1-24,45-46H

InChIKey

MWOBSIASKLRDBM-UHFFFAOYSA-N

Compound name

5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin

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]+	619.23528	201.4
[M+Na]+	641.21722	210.2
[M-H]-	617.22072	208.9
[M+NH4]+	636.26182	201.4
[M+K]+	657.19116	201.9
[M+H-H2O]+	601.22526	193.5
[M+HCOO]-	663.22620	211.6
[M+CH3COO]-	677.24185	206.6
[M+Na-2H]-	639.20267	200.8
[M]+	618.22745	204.9
[M]-	618.22855	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

619.23528

201.4

[M+Na]+

641.21722

210.2

[M-H]-

617.22072

208.9

[M+NH4]+

636.26182

201.4

[M+K]+

657.19116

201.9

[M+H-H2O]+

601.22526

193.5

[M+HCOO]-

663.22620

211.6

[M+CH3COO]-

677.24185

206.6

[M+Na-2H]-

639.20267

200.8

[M]+

618.22745

204.9

[M]-

618.22855

204.9

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

Meso-tetra(2-pyridyl)porphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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