CID 73755114

Tin protoporphyrin ix

Structural Information

Molecular Formula
C34H36N4O4
SMILES
CC\1=C(C2=CC3=C(C(=C(N3)/C=C\4/C(=C(/C(=C/C5=C(C(=C(N5)/C=C1\N2)C=C)C)/N4)C=C)C)C)CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C34H36N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13?,27-14?,28-15-,29-14-,30-15?,31-16?,32-16?
InChIKey
YLWVQFBYKLFJMB-GKYDYYQYSA-N
Compound name
3-[(4Z,10Z,14Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

361
References

0
Patents

564.2737 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.28098 242.2
[M+Na]+ 587.26292 252.9
[M+NH4]+ 582.30752 244.0
[M+K]+ 603.23686 254.2
[M-H]- 563.26642 238.8
[M+Na-2H]- 585.24837 236.0
[M]+ 564.27315 242.2
[M]- 564.27425 242.2
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.