CID 74258

2-[(p-nitrophenyl)azo]acetoacetanilide

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

95
Patents

326.1015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.108776 171.8
[M+Na]+ 349.090718 174.5
[M-H]- 325.094224 180.5
[M+NH4]+ 344.135323 184.0
[M+K]+ 365.064658 169.4
[M+H-H2O]+ 309.098760 166.5
[M+HCOO]- 371.099701 200.2
[M+CH3COO]- 385.115351 212.8
[M+Na-2H]- 347.076166 178.0
[M]+ 326.10095142 170.6
[M]- 326.10204858 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

literature stripe

Patent stripe

patents stripe