CID 121232769

Dtxsid2052520

Structural Information

Molecular Formula
C36H32N10O8
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC(=CC=C3)OCCOC4=CC=CC=C4N=NC(C(=O)C)C(=O)NC5=CC6=C(C=C5)NC(=O)N6
InChI
InChI=1S/C36H32N10O8/c1-19(47)31(33(49)37-21-10-12-25-28(17-21)41-35(51)39-25)45-43-23-6-5-7-24(16-23)53-14-15-54-30-9-4-3-8-27(30)44-46-32(20(2)48)34(50)38-22-11-13-26-29(18-22)42-36(52)40-26/h3-13,16-18,31-32H,14-15H2,1-2H3,(H,37,49)(H,38,50)(H2,39,41,51)(H2,40,42,52)
InChIKey
OEKRYKURBNYHBM-UHFFFAOYSA-N
Compound name
2-[[3-[2-[2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]phenoxy]ethoxy]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.2405 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.24778 256.2
[M+Na]+ 755.22972 264.3
[M+NH4]+ 750.27432 262.6
[M+K]+ 771.20366 258.8
[M-H]- 731.23322 257.7
[M+Na-2H]- 753.21517 269.5
[M]+ 732.23995 261.1
[M]- 732.24105 261.1
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.