CID 86570

17453-73-5

Structural Information

Molecular Formula
C34H30Cl2N6O6
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)Cl)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)Cl)OC)OC
InChI
InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-25-11-7-23(35)8-12-25)41-39-27-15-5-21(17-29(27)47-3)22-6-16-28(30(18-22)48-4)40-42-32(20(2)44)34(46)38-26-13-9-24(36)10-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
InChIKey
BOXWYFMLXRETMW-UHFFFAOYSA-N
Compound name
2-[[4-[4-[[1-(4-chloroanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-(4-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

688.1604 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.16768 259.0
[M+Na]+ 711.14962 269.4
[M+NH4]+ 706.19422 261.2
[M+K]+ 727.12356 262.5
[M-H]- 687.15312 267.6
[M+Na-2H]- 709.13507 267.1
[M]+ 688.15985 263.0
[M]- 688.16095 263.0
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

patents stripe