CID 109669

Einecs 268-984-6

Structural Information

Molecular Formula
C35H33N7O7
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC
InChI
InChI=1S/C35H33N7O7/c1-21(43)31(34(46)37-27-9-5-7-11-29(27)48-3)41-39-25-15-13-23(14-16-25)33(45)36-24-17-19-26(20-18-24)40-42-32(22(2)44)35(47)38-28-10-6-8-12-30(28)49-4/h5-20,31-32H,1-4H3,(H,36,45)(H,37,46)(H,38,47)
InChIKey
NWOKKZCOSYPGDQ-UHFFFAOYSA-N
Compound name
4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-N-[4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.24414 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.25142 255.5
[M+Na]+ 686.23336 252.0
[M-H]- 662.23686 270.9
[M+NH4]+ 681.27796 253.2
[M+K]+ 702.20730 255.0
[M+H-H2O]+ 646.24140 240.1
[M+HCOO]- 708.24234 282.3
[M+CH3COO]- 722.25799 297.2
[M+Na-2H]- 684.21881 254.9
[M]+ 663.24359 260.0
[M]- 663.24469 260.0
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.