CID 135441818

Nsc675262

Structural Information

Molecular Formula
C50H33ClN4
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)C9=CC=C(C=C9)Cl)C1=CC=CC=C1)N3
InChI
InChI=1S/C50H33ClN4/c51-37-23-21-32(22-24-37)38-31-45-48(35-17-9-3-10-18-35)43-28-27-41(53-43)46(33-13-5-1-6-14-33)39-25-26-40(52-39)47(34-15-7-2-8-16-34)42-29-30-44(54-42)49(50(38)55-45)36-19-11-4-12-20-36/h1-31,53-54H
InChIKey
DDTHJDCZDHQJIJ-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

724.2394 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.24668 232.5
[M+Na]+ 747.22862 240.1
[M-H]- 723.23212 244.9
[M+NH4]+ 742.27322 233.6
[M+K]+ 763.20256 231.5
[M+H-H2O]+ 707.23666 224.4
[M+HCOO]- 769.23760 240.5
[M+CH3COO]- 783.25325 236.7
[M+Na-2H]- 745.21407 226.9
[M]+ 724.23885 237.2
[M]- 724.23995 237.2
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.