CID 135493895

Nsc677433

Structural Information

Molecular Formula
C92H130N8O8S4
SMILES
CCCCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCCCCCCCCCCCC)C8=CC=C(C=C8)S(=O)(=O)NCCCCCCCCCCCC)C=C4)C9=CC=C(C=C9)S(=O)(=O)NCCCCCCCCCCCC)N3
InChI
InChI=1S/C92H130N8O8S4/c1-5-9-13-17-21-25-29-33-37-41-69-93-109(101,102)77-53-45-73(46-54-77)89-81-61-63-83(97-81)90(74-47-55-78(56-48-74)110(103,104)94-70-42-38-34-30-26-22-18-14-10-6-2)85-65-67-87(99-85)92(76-51-59-80(60-52-76)112(107,108)96-72-44-40-36-32-28-24-20-16-12-8-4)88-68-66-86(100-88)91(84-64-62-82(89)98-84)75-49-57-79(58-50-75)111(105,106)95-71-43-39-35-31-27-23-19-15-11-7-3/h45-68,93-97,100H,5-44,69-72H2,1-4H3
InChIKey
ZOXOCEZJEWZGDJ-UHFFFAOYSA-N
Compound name
N-dodecyl-4-[10,15,20-tris[4-(dodecylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1602.8894 Da
Monoisotopic Mass

28.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1603.8967 374.0
[M+Na]+ 1625.8786 395.2
[M-H]- 1601.8821 379.0
[M+NH4]+ 1620.9232 382.1
[M+K]+ 1641.8526 377.4
[M+H-H2O]+ 1585.8867 353.6
[M+HCOO]- 1647.8876 380.2
[M+CH3COO]- 1661.9033 379.9
[M+Na-2H]- 1623.8641 378.0
[M]+ 1602.8889 421.0
[M]- 1602.8899 421.0
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.