CID 170920053

Manganous (5z,10z,14z,19z)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

Structural Information

Molecular Formula
C44H30N4
SMILES
C1C=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C44H30N4/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/h1-27,42H,28H2
InChIKey
FJKOKRFSLYCWQB-UHFFFAOYSA-N
Compound name
5,10,15,20-tetraphenyl-2,15-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

614.2471 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.25438 217.6
[M+Na]+ 637.23632 224.4
[M-H]- 613.23982 229.2
[M+NH4]+ 632.28092 223.0
[M+K]+ 653.21026 216.9
[M+H-H2O]+ 597.24436 209.8
[M+HCOO]- 659.24530 231.2
[M+CH3COO]- 673.26095 223.4
[M+Na-2H]- 635.22177 212.7
[M]+ 614.24655 220.3
[M]- 614.24765 220.3
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.