CID 135413910

Nsc675261

Structural Information

Molecular Formula
C51H36N4O
SMILES
COC1=CC=C(C=C1)C2=CC3=NC2=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC(=C3C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C51H36N4O/c1-56-38-24-22-33(23-25-38)39-32-46-49(36-18-10-4-11-19-36)44-29-28-42(53-44)47(34-14-6-2-7-15-34)40-26-27-41(52-40)48(35-16-8-3-9-17-35)43-30-31-45(54-43)50(51(39)55-46)37-20-12-5-13-21-37/h2-32,53-54H,1H3
InChIKey
WYVYHKKJFQHISQ-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.28894 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.29622 228.2
[M+Na]+ 743.27816 234.0
[M-H]- 719.28166 241.0
[M+NH4]+ 738.32276 228.4
[M+K]+ 759.25210 226.6
[M+H-H2O]+ 703.28620 220.9
[M+HCOO]- 765.28714 239.8
[M+CH3COO]- 779.30279 232.3
[M+Na-2H]- 741.26361 223.4
[M]+ 720.28839 231.4
[M]- 720.28949 231.4
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.