CID 443426

131-hydroxy-magnesium-protoporphyrin ix 13-monomethyl ester

Structural Information

Molecular Formula
C35H36N4O5
SMILES
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)C(CC(=O)OC)O)C=C
InChI
InChI=1S/C35H36N4O5/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24/h8-9,12-15,32,36-37,40H,1-2,10-11,16H2,3-7H3,(H,41,42)
InChIKey
VMVBMNVHJCCUOI-UHFFFAOYSA-N
Compound name
3-[8,13-bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

592.26855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.27583 247.2
[M+Na]+ 615.25777 257.0
[M+NH4]+ 610.30237 248.7
[M+K]+ 631.23171 259.1
[M-H]- 591.26127 243.8
[M+Na-2H]- 613.24322 240.6
[M]+ 592.26800 247.1
[M]- 592.26910 247.1
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.