PubChemLite - Protoporphyrinogen (C34H40N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C

InChI

InChI=1S/C34H40N4O4/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/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)

InChIKey

UHSGPDMIQQYNAX-UHFFFAOYSA-N

Compound name

3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid

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]+	569.31221	242.4
[M+Na]+	591.29415	249.7
[M+NH4]+	586.33875	244.0
[M+K]+	607.26809	252.0
[M-H]-	567.29765	238.0
[M+Na-2H]-	589.27960	233.3
[M]+	568.30438	241.4
[M]-	568.30548	241.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.31221

242.4

[M+Na]+

591.29415

249.7

[M+NH4]+

586.33875

244.0

[M+K]+

607.26809

252.0

[M-H]-

567.29765

238.0

[M+Na-2H]-

589.27960

233.3

[M]+

568.30438

241.4

[M]-

568.30548

241.4

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

Protoporphyrinogen

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe