CID 171595

Einecs 260-796-2

Structural Information

Molecular Formula
C42H26Cl4N8O8
SMILES
CC(=O)C(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C(C(=O)C)N=NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)Cl)N=NC5=CC=CC6=C5C(=O)N(C6=O)C7=CC=C(C=C7)Cl
InChI
InChI=1S/C42H26Cl4N8O8/c1-19(55)35(51-49-29-7-3-5-25-33(29)41(61)53(39(25)59)23-13-9-21(43)10-14-23)37(57)47-31-17-28(46)32(18-27(31)45)48-38(58)36(20(2)56)52-50-30-8-4-6-26-34(30)42(62)54(40(26)60)24-15-11-22(44)12-16-24/h3-18,35-36H,1-2H3,(H,47,57)(H,48,58)
InChIKey
UOTFJEWCBHQGPW-UHFFFAOYSA-N
Compound name
2-[[2-(4-chlorophenyl)-1,3-dioxoisoindol-4-yl]diazenyl]-N-[2,5-dichloro-4-[[2-[[2-(4-chlorophenyl)-1,3-dioxoisoindol-4-yl]diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

910.06274 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 911.07002 234.3
[M+Na]+ 933.05196 243.3
[M-H]- 909.05546 239.4
[M+NH4]+ 928.09656 240.3
[M+K]+ 949.02590 237.0
[M+H-H2O]+ 893.06000 218.3
[M+HCOO]- 955.06094 241.8
[M+CH3COO]- 969.07659 245.1
[M+Na-2H]- 931.03741 260.9
[M]+ 910.06219 273.7
[M]- 910.06329 273.7
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.