CID 10254212

Tolyporphin h

Structural Information

Molecular Formula
C26H24N4O5
SMILES
CC1=CC2=CC3=NC(=CC4=CC(=C(N4)C=C5C(=O)C(C(=N5)C=C1N2)(C)O)C)C(C3=O)(C)OC(=O)C
InChI
InChI=1S/C26H24N4O5/c1-12-7-16-9-22-26(5,35-14(3)31)24(33)19(30-22)8-15-6-13(2)18(27-15)11-21-25(4,34)23(32)20(29-21)10-17(12)28-16/h6-11,27-28,34H,1-5H3
InChIKey
ACEUAOKAOJEZQZ-UHFFFAOYSA-N
Compound name
(12-hydroxy-2,8,12,17-tetramethyl-3,13-dioxo-22,24-dihydroporphyrin-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.17468 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18196 208.8
[M+Na]+ 495.16390 221.9
[M-H]- 471.16740 207.8
[M+NH4]+ 490.20850 224.9
[M+K]+ 511.13784 217.5
[M+H-H2O]+ 455.17194 208.9
[M+HCOO]- 517.17288 220.4
[M+CH3COO]- 531.18853 217.1
[M+Na-2H]- 493.14935 207.2
[M]+ 472.17413 218.2
[M]- 472.17523 218.2
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.