CID 106849

67827-86-5

Structural Information

Molecular Formula
C39H45N11O7
SMILES
CC(=O)C(C(=O)NC1=C(C=CC(=C1)NC)OC)N=NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)NC)OC)NC)NC
InChI
InChI=1S/C39H45N11O7/c1-21(51)35(38(54)45-31-18-24(40-3)10-13-33(31)56-7)49-47-26-9-12-29(30(20-26)43-6)44-37(53)23-15-27(42-5)17-28(16-23)48-50-36(22(2)52)39(55)46-32-19-25(41-4)11-14-34(32)57-8/h9-20,35-36,40-43H,1-8H3,(H,44,53)(H,45,54)(H,46,55)
InChIKey
CBQTXCDXHLFVGL-UHFFFAOYSA-N
Compound name
3-[[1-[2-methoxy-5-(methylamino)anilino]-1,3-dioxobutan-2-yl]diazenyl]-N-[4-[[1-[2-methoxy-5-(methylamino)anilino]-1,3-dioxobutan-2-yl]diazenyl]-2-(methylamino)phenyl]-5-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

779.35034 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 780.35762 279.4
[M+Na]+ 802.33956 285.0
[M+NH4]+ 797.38416 285.8
[M+K]+ 818.31350 276.5
[M-H]- 778.34306 280.1
[M+Na-2H]- 800.32501 302.2
[M]+ 779.34979 284.5
[M]- 779.35089 284.5
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.