CID 2802979

Ccg-51345

Structural Information

Molecular Formula

C₁₄H₁₇N₅O₆

SMILES

CCOC(=O)N1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC1

InChI

InChI=1S/C14H17N5O6/c1-2-25-14(20)17-7-5-10(6-8-17)15-16-12-4-3-11(18(21)22)9-13(12)19(23)24/h3-4,9,16H,2,5-8H2,1H3

InChIKey

TUCNSANSLKJATO-UHFFFAOYSA-N

Compound name

ethyl 4-[(2,4-dinitrophenyl)hydrazinylidene]piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 351.1179 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.125176	175.7
[M+Na]+	374.107118	176.8
[M-H]-	350.110624	181.2
[M+NH4]+	369.151723	184.4
[M+K]+	390.081058	167.4
[M+H-H2O]+	334.115160	174.7
[M+HCOO]-	396.116101	198.6
[M+CH3COO]-	410.131751	205.8
[M+Na-2H]-	372.092566	182.7
[M]+	351.11735142	169.9
[M]-	351.11844858	169.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.