CID 107225

4106-76-7

Structural Information

Molecular Formula
C16H13ClN4O4
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H13ClN4O4/c1-10(22)15(16(23)18-12-5-3-2-4-6-12)20-19-13-8-7-11(17)9-14(13)21(24)25/h2-9,15H,1H3,(H,18,23)
InChIKey
KBNQUAQMTGZQGJ-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

360.06253 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06981 178.2
[M+Na]+ 383.05175 190.0
[M+NH4]+ 378.09635 184.3
[M+K]+ 399.02569 186.7
[M-H]- 359.05525 184.1
[M+Na-2H]- 381.03720 185.7
[M]+ 360.06198 181.4
[M]- 360.06308 181.4
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