CID 88988968

23792-68-9

Structural Information

Molecular Formula
C34H30Cl2N6O4
SMILES
CC1=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=CC=C4)Cl)Cl)C
InChI
InChI=1S/C34H30Cl2N6O4/c1-19-10-13-28(20(2)16-19)38-34(46)32(22(4)44)42-40-30-15-12-24(18-27(30)36)23-11-14-29(26(35)17-23)39-41-31(21(3)43)33(45)37-25-8-6-5-7-9-25/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
InChIKey
MKRODNLHLSBLDO-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

656.17053 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.17781 256.3
[M+Na]+ 679.15975 267.8
[M+NH4]+ 674.20435 259.7
[M+K]+ 695.13369 259.6
[M-H]- 655.16325 265.9
[M+Na-2H]- 677.14520 265.1
[M]+ 656.16998 260.9
[M]- 656.17108 260.9
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

patents stripe