CID 5250451

2-[[2-chloro-4-[3-chloro-4-[2-[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-n-(2,4-dimethylphenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C36H34Cl2N6O4
SMILES
CC1=CC(=C(C=C1)NC(=O)C(=NNC2=C(C=C(C=C2)C3=CC(=C(C=C3)NN=C(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C(=O)C)C
InChI
InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,41-42H,1-6H3,(H,39,47)(H,40,48)
InChIKey
QWYLRRUZRFYUOL-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-[3-chloro-4-[2-[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

684.20184 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.20912 270.0
[M+Na]+ 707.19106 272.2
[M-H]- 683.19456 283.6
[M+NH4]+ 702.23566 269.8
[M+K]+ 723.16500 268.6
[M+H-H2O]+ 667.19910 258.6
[M+HCOO]- 729.20004 284.6
[M+CH3COO]- 743.21569 295.7
[M+Na-2H]- 705.17651 263.2
[M]+ 684.20129 276.9
[M]- 684.20239 276.9
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

No patent data available for this compound.