CID 9557875

N'-(3-nitrobenzylidene)cyclohexanecarbohydrazide

Structural Information

Molecular Formula
C14H17N3O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H17N3O3/c18-14(12-6-2-1-3-7-12)16-15-10-11-5-4-8-13(9-11)17(19)20/h4-5,8-10,12H,1-3,6-7H2,(H,16,18)/b15-10+
InChIKey
LTXSWNVEYIYQDQ-XNTDXEJSSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.134256 160.7
[M+Na]+ 298.116198 162.5
[M-H]- 274.119704 167.3
[M+NH4]+ 293.160803 175.0
[M+K]+ 314.090138 156.2
[M+H-H2O]+ 258.124240 156.6
[M+HCOO]- 320.125181 184.8
[M+CH3COO]- 334.140831 197.6
[M+Na-2H]- 296.101646 166.2
[M]+ 275.12643142 154.3
[M]- 275.12752858 154.3
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

No patent data available for this compound.