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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.18484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.