CID 174116

Dtxsid10868471

Structural Information

Molecular Formula
C34H26Cl2N10O6
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC(C(=O)C)C(=O)NC5=CC6=C(C=C5)NC(=O)N6)Cl)Cl
InChI
InChI=1S/C34H26Cl2N10O6/c1-15(47)29(31(49)37-19-5-9-25-27(13-19)41-33(51)39-25)45-43-23-7-3-17(11-21(23)35)18-4-8-24(22(36)12-18)44-46-30(16(2)48)32(50)38-20-6-10-26-28(14-20)42-34(52)40-26/h3-14,29-30H,1-2H3,(H,37,49)(H,38,50)(H2,39,41,51)(H2,40,42,52)
InChIKey
ZDTUSRHTEVWVKX-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[3-chloro-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]phenyl]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

6
Patents

740.14136 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.14864 219.9
[M+Na]+ 763.13058 228.0
[M-H]- 739.13408 220.3
[M+NH4]+ 758.17518 224.6
[M+K]+ 779.10452 222.9
[M+H-H2O]+ 723.13862 200.4
[M+HCOO]- 785.13956 226.1
[M+CH3COO]- 799.15521 229.9
[M+Na-2H]- 761.11603 238.7
[M]+ 740.14081 261.2
[M]- 740.14191 261.2
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