CID 73463

Dtxsid10864014

Structural Information

Molecular Formula
C36H36N6O6
SMILES
CC1=CC=CC=C1NC(=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=CC=C4C)OC)OC
InChI
InChI=1S/C36H36N6O6/c1-21-11-7-9-13-27(21)37-35(45)33(23(3)43)41-39-29-17-15-25(19-31(29)47-5)26-16-18-30(32(20-26)48-6)40-42-34(24(4)44)36(46)38-28-14-10-8-12-22(28)2/h7-20,33-34H,1-6H3,(H,37,45)(H,38,46)
InChIKey
WYFHUBCFEZAVLO-UHFFFAOYSA-N
Compound name
2-[[2-methoxy-4-[3-methoxy-4-[[1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

648.26965 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.27693 259.6
[M+Na]+ 671.25887 258.6
[M-H]- 647.26237 275.7
[M+NH4]+ 666.30347 259.0
[M+K]+ 687.23281 259.8
[M+H-H2O]+ 631.26691 244.3
[M+HCOO]- 693.26785 285.8
[M+CH3COO]- 707.28350 295.8
[M+Na-2H]- 669.24432 256.5
[M]+ 648.26910 265.9
[M]- 648.27020 265.9
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.