CID 101364564

820212-95-1

Structural Information

Molecular Formula
C44H48N6O10
SMILES
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)C(=O)OCCCC)OC)OC
InChI
InChI=1S/C44H48N6O10/c1-7-9-23-59-43(55)29-11-17-33(18-12-29)45-41(53)39(27(3)51)49-47-35-21-15-31(25-37(35)57-5)32-16-22-36(38(26-32)58-6)48-50-40(28(4)52)42(54)46-34-19-13-30(14-20-34)44(56)60-24-10-8-2/h11-22,25-26,39-40H,7-10,23-24H2,1-6H3,(H,45,53)(H,46,54)
InChIKey
JSVJIXOUGUZATR-UHFFFAOYSA-N
Compound name
butyl 4-[[2-[[4-[4-[[1-(4-butoxycarbonylanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

820.3432 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 821.35048 285.8
[M+Na]+ 843.33242 290.8
[M+NH4]+ 838.37702 290.6
[M+K]+ 859.30636 284.6
[M-H]- 819.33592 285.3
[M+Na-2H]- 841.31787 308.6
[M]+ 820.34265 289.3
[M]- 820.34375 289.3
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.