PubChemLite - Tetra(methoxyphenyl)porphyrin (C48H38N4O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7OC)C8=CC=CC=C8OC)C=C4)C9=CC=CC=C9OC)N3

InChI

InChI=1S/C48H38N4O4/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3/h5-28,49,52H,1-4H3

InChIKey

LVIBHNALUZOXEO-UHFFFAOYSA-N

Compound name

5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-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]+	735.29658	242.0
[M+Na]+	757.27852	248.2
[M-H]-	733.28202	253.5
[M+NH4]+	752.32312	242.4
[M+K]+	773.25246	243.9
[M+H-H2O]+	717.28656	236.1
[M+HCOO]-	779.28750	253.9
[M+CH3COO]-	793.30315	246.3
[M+Na-2H]-	755.26397	236.3
[M]+	734.28875	251.1
[M]-	734.28985	251.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

735.29658

242.0

[M+Na]+

757.27852

248.2

[M-H]-

733.28202

253.5

[M+NH4]+

752.32312

242.4

[M+K]+

773.25246

243.9

[M+H-H2O]+

717.28656

236.1

[M+HCOO]-

779.28750

253.9

[M+CH3COO]-

793.30315

246.3

[M+Na-2H]-

755.26397

236.3

[M]+

734.28875

251.1

[M]-

734.28985

251.1

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

Tetra(methoxyphenyl)porphyrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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