CID 135851296

26677-12-3

Structural Information

Molecular Formula
C34H34N4O7
SMILES
CCC\1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=CC5=NC(=CC(=N2)/C1=C\O)C(=C5C)C=C)N4)C)CCC(=O)O)CC(=O)O)C(=O)O)C
InChI
InChI=1S/C34H34N4O7/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23/h6,11-14,16,20,37,39H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b22-14-,24-11?,25-12?,26-13?,32-21?
InChIKey
XFXWNOMYPLBDOF-YCXIEGJNSA-N
Compound name
(8Z)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-(hydroxymethylidene)-3,13,17-trimethyl-18,24-dihydro-17H-porphyrin-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

30
Patents

610.24274 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.25002 247.9
[M+Na]+ 633.23196 254.3
[M+NH4]+ 628.27656 247.8
[M+K]+ 649.20590 258.9
[M-H]- 609.23546 242.5
[M+Na-2H]- 631.21741 238.0
[M]+ 610.24219 246.4
[M]- 610.24329 246.4
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.