CID 518895

Schembl346431

Structural Information

Molecular Formula
C44H28N4
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H
InChIKey
ASQZPNGAQXZRMQ-UHFFFAOYSA-N
Compound name
5,10,15,20-tetraphenylporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

534
Patents

612.2314 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.238676 217.6
[M+Na]+ 635.220618 225.2
[M-H]- 611.224124 229.5
[M+NH4]+ 630.265223 223.1
[M+K]+ 651.194558 217.7
[M+H-H2O]+ 595.228660 209.9
[M+HCOO]- 657.229601 232.3
[M+CH3COO]- 671.245251 223.7
[M+Na-2H]- 633.206066 213.5
[M]+ 612.23085142 221.4
[M]- 612.23194858 221.4
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

patents stripe