PubChemLite - 5,10,15,20-tetrakis(3,5-dihydroxyphenyl)porphyrin (C44H30N4O8)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC(=CC(=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)C=C3)C9=CC(=CC(=C9)O)O

InChI

InChI=1S/C44H30N4O8/c49-25-9-21(10-26(50)17-25)41-33-1-2-34(45-33)42(22-11-27(51)18-28(52)12-22)36-5-6-38(47-36)44(24-15-31(55)20-32(56)16-24)40-8-7-39(48-40)43(37-4-3-35(41)46-37)23-13-29(53)19-30(54)14-23/h1-20,45,48-56H

InChIKey

KNNIRTCDHGJGJA-UHFFFAOYSA-N

Compound name

5-[10,15,20-tris(3,5-dihydroxyphenyl)-21,23-dihydroporphyrin-5-yl]benzene-1,3-diol

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]+	743.21364	256.9
[M+Na]+	765.19558	273.3
[M-H]-	741.19908	257.7
[M+NH4]+	760.24018	262.6
[M+K]+	781.16952	265.0
[M+H-H2O]+	725.20362	234.8
[M+HCOO]-	787.20456	263.5
[M+CH3COO]-	801.22021	266.3
[M+Na-2H]-	763.18103	250.4
[M]+	742.20581	287.1
[M]-	742.20691	287.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

743.21364

256.9

[M+Na]+

765.19558

273.3

[M-H]-

741.19908

257.7

[M+NH4]+

760.24018

262.6

[M+K]+

781.16952

265.0

[M+H-H2O]+

725.20362

234.8

[M+HCOO]-

787.20456

263.5

[M+CH3COO]-

801.22021

266.3

[M+Na-2H]-

763.18103

250.4

[M]+

742.20581

287.1

[M]-

742.20691

287.1

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

5,10,15,20-tetrakis(3,5-dihydroxyphenyl)porphyrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe