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 160.9
[M+Na]+ 318.08089 163.8
[M-H]- 294.08439 165.4
[M+NH4]+ 313.12549 210.6
[M+K]+ 334.05483 155.1
[M+H-H2O]+ 278.08893 161.6
[M+HCOO]- 340.08987 218.6
[M+CH3COO]- 354.10552 199.9
[M+Na-2H]- 316.06634 168.2
[M]+ 295.09112 157.2
[M]- 295.09222 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.