CID 135476644
Schembl29454950
Structural Information
- Molecular Formula
- C52H46N4O4
- SMILES
- CCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC)C8=CC=C(C=C8)OCC)C=C4)C9=CC=C(C=C9)OCC)N3
- InChI
- InChI=1S/C52H46N4O4/c1-5-57-37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)58-6-2)45-29-31-47(55-45)52(36-15-23-40(24-16-36)60-8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)59-7-3/h9-32,53,56H,5-8H2,1-4H3
- InChIKey
- RPIIEPQBFDFIOA-UHFFFAOYSA-N
- Compound name
- 5,10,15,20-tetrakis(4-ethoxyphenyl)-21,23-dihydroporphyrin
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 791.35918 | 255.6 |
[M+Na]+ | 813.34112 | 259.8 |
[M-H]- | 789.34462 | 266.2 |
[M+NH4]+ | 808.38572 | 253.7 |
[M+K]+ | 829.31506 | 255.1 |
[M+H-H2O]+ | 773.34916 | 248.9 |
[M+HCOO]- | 835.35010 | 266.0 |
[M+CH3COO]- | 849.36575 | 258.2 |
[M+Na-2H]- | 811.32657 | 248.2 |
[M]+ | 790.35135 | 265.2 |
[M]- | 790.35245 | 265.2 |
Literature stripe
No literature data available for this compound.