CID 171990329
Tolyporphin r
Structural Information
- Molecular Formula
- C26H24N4O3
- SMILES
- CC1=CC2=CC3=C([C@](C(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5)C)C(=C4)C)N3)(C)OC(=O)C)O
- InChI
- InChI=1S/C26H24N4O3/c1-13-8-19-11-24-26(5,33-16(4)31)25(32)23(30-24)10-18-7-15(3)22(28-18)12-21-14(2)6-17(27-21)9-20(13)29-19/h6-12,30,32H,1-5H3/t26-/m1/s1
- InChIKey
- UCNFGWDCQMGHOT-AREMUKBSSA-N
- Compound name
- [(2R)-3-hydroxy-2,8,12,17-tetramethyl-21H-porphyrin-2-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 441.19212 | 203.9 |
[M+Na]+ | 463.17406 | 215.8 |
[M-H]- | 439.17756 | 203.4 |
[M+NH4]+ | 458.21866 | 220.1 |
[M+K]+ | 479.14800 | 211.7 |
[M+H-H2O]+ | 423.18210 | 203.0 |
[M+HCOO]- | 485.18304 | 216.6 |
[M+CH3COO]- | 499.19869 | 212.5 |
[M+Na-2H]- | 461.15951 | 201.0 |
[M]+ | 440.18429 | 212.7 |
[M]- | 440.18539 | 212.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.