Sb-protoporphyrin ix (C34H32N4O4Sb)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=NC1=CC3=C(C(=C4N3[Sb]N5C(=CC6=NC(=C4)C(=C6C=C)C)C(=C(C5=C2)CCC(=O)O)C)C=C)C)CCC(=O)O

InChI

InChI=1S/C34H34N4O4.Sb/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2

InChIKey

PMTXMXNUDUJLSZ-UHFFFAOYSA-L

Compound name

None

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]+	682.153476	251.9
[M+Na]+	704.135418	259.6
[M-H]-	680.138924	247.8
[M+NH4]+	699.180023	258.0
[M+K]+	720.109358	255.4
[M+H-H2O]+	664.143460	252.8
[M+HCOO]-	726.144401	259.7
[M+CH3COO]-	740.160051	255.0
[M+Na-2H]-	702.120866	240.8
[M]+	681.14565142	263.1
[M]-	681.14674858	263.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

682.153476

251.9

[M+Na]+

704.135418

259.6

[M-H]-

680.138924

247.8

[M+NH4]+

699.180023

258.0

[M+K]+

720.109358

255.4

[M+H-H2O]+

664.143460

252.8

[M+HCOO]-

726.144401

259.7

[M+CH3COO]-

740.160051

255.0

[M+Na-2H]-

702.120866

240.8

[M]+

681.14565142

263.1

[M]-

681.14674858

263.1

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

Sb-protoporphyrin ix

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe