CID 3017398

63314-66-9

Structural Information

Molecular Formula
C16H12Cl2N4O4
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)Cl)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-2-10(17)3-6-12)21-20-13-7-4-11(18)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)
InChIKey
UTZPVJKRCMYHIT-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.02356 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03084 184.5
[M+Na]+ 417.01278 197.1
[M+NH4]+ 412.05738 190.6
[M+K]+ 432.98672 193.1
[M-H]- 393.01628 190.1
[M+Na-2H]- 414.99823 191.6
[M]+ 394.02301 188.1
[M]- 394.02411 188.1
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.