CID 5482154

Tetrakis(n-ethylpyridinium-4-yl)porphyrin tetratosylate

Structural Information

Molecular Formula
C48H46N8
SMILES
CC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CC)C8=CC=[N+](C=C8)CC)C=C4)C9=CC=[N+](C=C9)CC)N3
InChI
InChI=1S/C48H45N8/c1-5-53-25-17-33(18-26-53)45-37-9-11-39(49-37)46(34-19-27-54(6-2)28-20-34)41-13-15-43(51-41)48(36-23-31-56(8-4)32-24-36)44-16-14-42(52-44)47(40-12-10-38(45)50-40)35-21-29-55(7-3)30-22-35/h9-32H,5-8H2,1-4H3,(H,49,50,51,52)/q+3/p+1
InChIKey
IXTBSPBWUDCDBO-UHFFFAOYSA-O
Compound name
5,10,15,20-tetrakis(1-ethylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

344
References

0
Patents

734.3845 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.39178 254.5
[M+Na]+ 757.37372 278.6
[M+NH4]+ 752.41832 262.3
[M+K]+ 773.34766 275.6
[M-H]- 733.37722 266.8
[M+Na-2H]- 755.35917 263.1
[M]+ 734.38395 262.8
[M]- 734.38505 262.8
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.