CID 177845671

Dtxsid001386631

Structural Information

Molecular Formula
C64H46N4O4
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC9=C(C=C8)C=C(C=C9)OC)C1=CC2=C(C=C1)C=C(C=C2)OC)C=C5)C1=CC2=C(C=C1)C=C(C=C2)OC)N4
InChI
InChI=1S/C64H46N4O4/c1-69-49-17-13-37-29-45(9-5-41(37)33-49)61-53-21-23-55(65-53)62(46-10-6-42-34-50(70-2)18-14-38(42)30-46)57-25-27-59(67-57)64(48-12-8-44-36-52(72-4)20-16-40(44)32-48)60-28-26-58(68-60)63(56-24-22-54(61)66-56)47-11-7-43-35-51(71-3)19-15-39(43)31-47/h5-36,65,68H,1-4H3
InChIKey
YRLZKHCHCWCKFN-UHFFFAOYSA-N
Compound name
5,10,15,20-tetrakis(6-methoxynaphthalen-2-yl)-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

934.3519 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 935.35918 237.8
[M+Na]+ 957.34112 239.4
[M-H]- 933.34462 250.2
[M+NH4]+ 952.38572 232.8
[M+K]+ 973.31506 237.1
[M+H-H2O]+ 917.34916 227.6
[M+HCOO]- 979.35010 242.6
[M+CH3COO]- 993.36575 238.5
[M+Na-2H]- 955.32657 232.7
[M]+ 934.35135 244.6
[M]- 934.35245 244.6
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.