CID 110674

Dtxsid40863570

Structural Information

Molecular Formula
C43H35Cl5N8O6
SMILES
CC1=CC(=C(C=C1NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)NC3=C(C(=CC=C3)Cl)C)Cl)Cl)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C(=O)NC5=C(C(=CC=C5)Cl)C)Cl
InChI
InChI=1S/C43H35Cl5N8O6/c1-20-16-35(52-43(62)39(24(5)58)56-54-37-18-26(13-15-30(37)47)41(60)50-33-11-7-9-28(45)22(33)3)31(48)19-34(20)51-42(61)38(23(4)57)55-53-36-17-25(12-14-29(36)46)40(59)49-32-10-6-8-27(44)21(32)2/h6-19,38-39H,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)
InChIKey
PFTIMORLWNOYIQ-UHFFFAOYSA-N
Compound name
4-chloro-3-[[1-[5-chloro-4-[[2-[[2-chloro-5-[(3-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-(3-chloro-2-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

172
Patents

934.11224 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 935.11952 243.3
[M+Na]+ 957.10146 252.0
[M-H]- 933.10496 250.6
[M+NH4]+ 952.14606 250.1
[M+K]+ 973.07540 242.0
[M+H-H2O]+ 917.10950 227.8
[M+HCOO]- 979.11044 251.3
[M+CH3COO]- 993.12609 326.5
[M+Na-2H]- 955.08691 283.5
[M]+ 934.11169 288.8
[M]- 934.11279 288.8
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