CID 86073

Dtxsid401047916

Structural Information

Molecular Formula
C40H26N8
SMILES
C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9
InChI
InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45-46H
InChIKey
WQCKXOJXOKSXQZ-UHFFFAOYSA-N
Compound name
5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

618.228 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.23528 201.4
[M+Na]+ 641.21722 210.2
[M-H]- 617.22072 208.9
[M+NH4]+ 636.26182 201.4
[M+K]+ 657.19116 201.9
[M+H-H2O]+ 601.22526 193.5
[M+HCOO]- 663.22620 211.6
[M+CH3COO]- 677.24185 206.6
[M+Na-2H]- 639.20267 200.8
[M]+ 618.22745 204.9
[M]- 618.22855 204.9
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.