CID 44146882

195245-69-3

Structural Information

Molecular Formula
C80H124N10O9S5
SMILES
CCCCCCCCCCCCCCCCCCN1CC(SC1C2=C(C=CC(=C2)S(=O)(=O)NCCCN(CCCNS(=O)(=O)C3=CC(=C(C=C3)O)C4N(CC(S4)(C)C)CCCCCCCCCCCCCCCCCC)S(=O)(=O)C5=CC=CC(=C5)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C#N)O)(C)C
InChI
InChI=1S/C80H124N10O9S5/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-55-87-63-79(3,4)100-77(87)70-60-67(49-51-73(70)91)102(94,95)82-53-43-57-89(104(98,99)69-48-42-45-65(59-69)84-85-75-72(62-81)86-90(76(75)93)66-46-38-37-39-47-66)58-44-54-83-103(96,97)68-50-52-74(92)71(61-68)78-88(64-80(5,6)101-78)56-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42,45-52,59-61,75,77-78,82-83,91-92H,7-36,40-41,43-44,53-58,63-64H2,1-6H3
InChIKey
DYOWVPBOSVXWJW-UHFFFAOYSA-N
Compound name
N-[3-[[3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl-[3-[[3-(5,5-dimethyl-3-octadecyl-1,3-thiazolidin-2-yl)-4-hydroxyphenyl]sulfonylamino]propyl]amino]propyl]-3-(5,5-dimethyl-3-octadecyl-1,3-thiazolidin-2-yl)-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1528.8157 Da
Monoisotopic Mass

23.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1529.8230 373.4
[M+Na]+ 1551.8049 378.0
[M+NH4]+ 1546.8495 376.3
[M+K]+ 1567.7789 370.9
[M-H]- 1527.8084 372.6
[M+Na-2H]- 1549.7904 384.9
[M]+ 1528.8152 376.3
[M]- 1528.8162 376.3
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.