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]+ 296.098946 160.9
[M+Na]+ 318.080888 163.8
[M-H]- 294.084394 165.4
[M+NH4]+ 313.125493 210.6
[M+K]+ 334.054828 155.1
[M+H-H2O]+ 278.088930 161.6
[M+HCOO]- 340.089871 218.6
[M+CH3COO]- 354.105521 199.9
[M+Na-2H]- 316.066336 168.2
[M]+ 295.09112142 157.2
[M]- 295.09221858 157.2
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.