CID 166497

Einecs 278-770-4

Structural Information

Molecular Formula
C36H32N10O8
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3OCCOC4=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)37-21-11-13-23-27(17-21)41-35(51)39-23)45-43-25-7-3-5-9-29(25)53-15-16-54-30-10-6-4-8-26(30)44-46-32(20(2)48)34(50)38-22-12-14-24-28(18-22)42-36(52)40-24/h3-14,17-18,31-32H,15-16H2,1-2H3,(H,37,49)(H,38,50)(H2,39,41,51)(H2,40,42,52)
InChIKey
PUNNQKXGKNOLTB-UHFFFAOYSA-N
Compound name
2-[[2-[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
2
Annotation Hits

0
References

609
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 247.0
[M+Na]+ 755.22972 253.2
[M-H]- 731.23322 246.2
[M+NH4]+ 750.27432 250.4
[M+K]+ 771.20366 248.6
[M+H-H2O]+ 715.23776 225.2
[M+HCOO]- 777.23870 251.4
[M+CH3COO]- 791.25435 254.6
[M+Na-2H]- 753.21517 261.7
[M]+ 732.23995 286.0
[M]- 732.24105 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

patents stripe