PubChemLite - 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]+	682.15348	251.9
[M+Na]+	704.13542	259.6
[M-H]-	680.13892	247.8
[M+NH4]+	699.18002	258.0
[M+K]+	720.10936	255.4
[M+H-H2O]+	664.14346	252.8
[M+HCOO]-	726.14440	259.7
[M+CH3COO]-	740.16005	255.0
[M+Na-2H]-	702.12087	240.8
[M]+	681.14565	263.1
[M]-	681.14675	263.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

682.15348

251.9

[M+Na]+

704.13542

259.6

[M-H]-

680.13892

247.8

[M+NH4]+

699.18002

258.0

[M+K]+

720.10936

255.4

[M+H-H2O]+

664.14346

252.8

[M+HCOO]-

726.14440

259.7

[M+CH3COO]-

740.16005

255.0

[M+Na-2H]-

702.12087

240.8

[M]+

681.14565

263.1

[M]-

681.14675

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