CID 135508923

N-[2,4,6-trimethyl-3-[(5z,10z,14z,19z)-10,15,20-tris[3-(acetylsulfamoyl)-2,4,6-trimethyl-phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylacetamide

Structural Information

Molecular Formula
C64H66N8O12S4
SMILES
CC1=CC(=C(C(=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=C(C(=C(C=C7C)C)S(=O)(=O)NC(=O)C)C)C8=C(C(=C(C=C8C)C)S(=O)(=O)NC(=O)C)C)C=C4)C9=C(C(=C(C=C9C)C)S(=O)(=O)NC(=O)C)C)N3)C)S(=O)(=O)NC(=O)C)C
InChI
InChI=1S/C64H66N8O12S4/c1-29-25-33(5)61(85(77,78)69-41(13)73)37(9)53(29)57-45-17-19-47(65-45)58(54-30(2)26-34(6)62(38(54)10)86(79,80)70-42(14)74)49-21-23-51(67-49)60(56-32(4)28-36(8)64(40(56)12)88(83,84)72-44(16)76)52-24-22-50(68-52)59(48-20-18-46(57)66-48)55-31(3)27-35(7)63(39(55)11)87(81,82)71-43(15)75/h17-28,65,68H,1-16H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)
InChIKey
UXBCPHIWRWZVBW-UHFFFAOYSA-N
Compound name
N-[2,4,6-trimethyl-3-[10,15,20-tris[3-(acetylsulfamoyl)-2,4,6-trimethylphenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1266.3683 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1267.3756 309.1
[M+Na]+ 1289.3575 331.3
[M-H]- 1265.3610 319.0
[M+NH4]+ 1284.4021 319.6
[M+K]+ 1305.3315 312.6
[M+H-H2O]+ 1249.3656 293.5
[M+HCOO]- 1311.3665 319.1
[M+CH3COO]- 1325.3822 320.3
[M+Na-2H]- 1287.3430 319.7
[M]+ 1266.3678 363.9
[M]- 1266.3688 363.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.