CID 74258

1657-16-5

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
2
Annotation Hits

0
References

21
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

literature stripe

Patent stripe

patents stripe