CID 4971
Protoporphyrin ix
Structural Information
- Molecular Formula
- C34H34N4O4
- SMILES
- CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C
- InChI
- InChI=1S/C34H34N4O4/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/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
- InChIKey
- ZCFFYALKHPIRKJ-UHFFFAOYSA-N
- Compound name
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 563.26528 | 241.5 |
[M+Na]+ | 585.24722 | 252.4 |
[M+NH4]+ | 580.29182 | 243.9 |
[M+K]+ | 601.22116 | 253.4 |
[M-H]- | 561.25072 | 238.7 |
[M+Na-2H]- | 583.23267 | 235.7 |
[M]+ | 562.25745 | 241.8 |
[M]- | 562.25855 | 241.8 |