PubChemLite - 22112-78-3 (C48H38N4O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)N3

InChI

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

InChIKey

PJOJZHHAECOAFH-UHFFFAOYSA-N

Compound name

5,10,15,20-tetrakis(4-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	270.7
[M+Na]+	757.27852	290.2
[M+NH4]+	752.32312	276.6
[M+K]+	773.25246	285.3
[M-H]-	733.28202	280.0
[M+Na-2H]-	755.26397	276.9
[M]+	734.28875	276.5
[M]-	734.28985	276.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

735.29658

270.7

[M+Na]+

757.27852

290.2

[M+NH4]+

752.32312

276.6

[M+K]+

773.25246

285.3

[M-H]-

733.28202

280.0

[M+Na-2H]-

755.26397

276.9

[M]+

734.28875

276.5

[M]-

734.28985

276.5

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

22112-78-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe