CID 121232769

Refchem:200027

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
4
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]+ 733.247776 247.0
[M+Na]+ 755.229718 253.2
[M-H]- 731.233224 246.2
[M+NH4]+ 750.274323 250.4
[M+K]+ 771.203658 248.6
[M+H-H2O]+ 715.237760 225.2
[M+HCOO]- 777.238701 251.4
[M+CH3COO]- 791.254351 254.6
[M+Na-2H]- 753.215166 261.7
[M]+ 732.23995142 286.0
[M]- 732.24104858 286.0
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.