CID 9555729

N-acetonylacetamide 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C11H13N5O5
SMILES
C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CNC(=O)C
InChI
InChI=1S/C11H13N5O5/c1-7(6-12-8(2)17)13-14-10-4-3-9(15(18)19)5-11(10)16(20)21/h3-5,14H,6H2,1-2H3,(H,12,17)/b13-7+
InChIKey
UGVNYICHWOFKSI-NTUHNPAUSA-N
Compound name
N-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09167 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09895 175.0
[M+Na]+ 318.08089 180.5
[M+NH4]+ 313.12549 183.3
[M+K]+ 334.05483 189.4
[M-H]- 294.08439 170.4
[M+Na-2H]- 316.06634 171.7
[M]+ 295.09112 176.5
[M]- 295.09222 176.5
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

No patent data available for this compound.