CID 85752

Einecs 238-611-1

Structural Information

Molecular Formula
C32H24Cl4N6O4
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1Cl)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4Cl)Cl)Cl
InChI
InChI=1S/C32H24Cl4N6O4/c1-17(43)29(31(45)37-25-9-5-3-7-21(25)33)41-39-27-13-11-19(15-23(27)35)20-12-14-28(24(36)16-20)40-42-30(18(2)44)32(46)38-26-10-6-4-8-22(26)34/h3-16,29-30H,1-2H3,(H,37,45)(H,38,46)
InChIKey
KPSPKGJSHVSNQT-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[3-chloro-4-[[1-(2-chloroanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

696.06134 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.06862 260.0
[M+Na]+ 719.05056 263.3
[M-H]- 695.05406 272.7
[M+NH4]+ 714.09516 261.0
[M+K]+ 735.02450 260.5
[M+H-H2O]+ 679.05860 250.0
[M+HCOO]- 741.05954 268.4
[M+CH3COO]- 755.07519 288.9
[M+Na-2H]- 717.03601 255.3
[M]+ 696.06079 269.5
[M]- 696.06189 269.5
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