CID 107225

Butanamide, 2-[(4-chloro-2-nitrophenyl)azo]-3-oxo-n-phenyl-

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

5
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 180.8
[M+Na]+ 383.05175 184.9
[M-H]- 359.05525 189.5
[M+NH4]+ 378.09635 192.8
[M+K]+ 399.02569 178.2
[M+H-H2O]+ 343.05979 176.7
[M+HCOO]- 405.06073 204.7
[M+CH3COO]- 419.07638 217.5
[M+Na-2H]- 381.03720 185.5
[M]+ 360.06198 182.5
[M]- 360.06308 182.5
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