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]+ 441.192116 203.9
[M+Na]+ 463.174058 215.8
[M-H]- 439.177564 203.4
[M+NH4]+ 458.218663 220.1
[M+K]+ 479.147998 211.7
[M+H-H2O]+ 423.182100 203.0
[M+HCOO]- 485.183041 216.6
[M+CH3COO]- 499.198691 212.5
[M+Na-2H]- 461.159506 201.0
[M]+ 440.18429142 212.7
[M]- 440.18538858 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

literature stripe

Patent stripe

No patent data available for this compound.