CID 77748

2-[(o-nitrophenyl)azo]acetoacetanilide

Structural Information

Molecular Formula
C16H14N4O4
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O4/c1-11(21)15(16(22)17-12-7-3-2-4-8-12)19-18-13-9-5-6-10-14(13)20(23)24/h2-10,15H,1H3,(H,17,22)
InChIKey
FCUWHABSNJYYDW-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

326.1015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 171.8
[M+Na]+ 349.09072 174.5
[M-H]- 325.09422 180.5
[M+NH4]+ 344.13532 184.0
[M+K]+ 365.06466 169.4
[M+H-H2O]+ 309.09876 166.5
[M+HCOO]- 371.09970 200.2
[M+CH3COO]- 385.11535 212.8
[M+Na-2H]- 347.07617 178.0
[M]+ 326.10095 170.6
[M]- 326.10205 170.6
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