PubChemLite - Tolyporphin f (C32H34N4O7)

Structural Information

Molecular Formula

SMILES

CC1C(CC(C(O1)C2(C3=CC4=CC(=C(N4)C=C5C(=O)C(C(=N5)C=C6C(=CC(=CC(=N3)C2=O)N6)C)(C)O)C)C)OC(=O)C)O

InChI

InChI=1S/C32H34N4O7/c1-14-8-19-10-26-31(5,30-25(43-17(4)37)13-24(38)16(3)42-30)28(39)22(35-26)9-18-7-15(2)21(33-18)12-27-32(6,41)29(40)23(36-27)11-20(14)34-19/h7-12,16,24-25,30,33-34,38,41H,13H2,1-6H3

InChIKey

ZARYZUPFPJSRQD-UHFFFAOYSA-N

Compound name

[5-hydroxy-2-(12-hydroxy-2,8,12,17-tetramethyl-3,13-dioxo-22,24-dihydroporphyrin-2-yl)-6-methyloxan-3-yl] acetate

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]+	587.25002	231.1
[M+Na]+	609.23196	240.8
[M-H]-	585.23546	231.8
[M+NH4]+	604.27656	240.4
[M+K]+	625.20590	238.1
[M+H-H2O]+	569.24000	232.0
[M+HCOO]-	631.24094	235.3
[M+CH3COO]-	645.25659	236.3
[M+Na-2H]-	607.21741	224.9
[M]+	586.24219	238.8
[M]-	586.24329	238.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.25002

231.1

[M+Na]+

609.23196

240.8

[M-H]-

585.23546

231.8

[M+NH4]+

604.27656

240.4

[M+K]+

625.20590

238.1

[M+H-H2O]+

569.24000

232.0

[M+HCOO]-

631.24094

235.3

[M+CH3COO]-

645.25659

236.3

[M+Na-2H]-

607.21741

224.9

[M]+

586.24219

238.8

[M]-

586.24329

238.8

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

Tolyporphin f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe