CID 77748

4106-67-6

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 172.1
[M+Na]+ 349.09072 182.6
[M+NH4]+ 344.13532 177.8
[M+K]+ 365.06466 180.1
[M-H]- 325.09422 177.8
[M+Na-2H]- 347.07617 179.7
[M]+ 326.10095 174.7
[M]- 326.10205 174.7
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