CID 94326

6486-23-3

Structural Information

Molecular Formula
C16H12Cl2N4O4
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1Cl)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)
InChIKey
QTSNFLIDNYOATQ-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2247
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

literature stripe

Patent stripe

patents stripe