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]+ 276.13426 160.7
[M+Na]+ 298.11620 162.5
[M-H]- 274.11970 167.3
[M+NH4]+ 293.16080 175.0
[M+K]+ 314.09014 156.2
[M+H-H2O]+ 258.12424 156.6
[M+HCOO]- 320.12518 184.8
[M+CH3COO]- 334.14083 197.6
[M+Na-2H]- 296.10165 166.2
[M]+ 275.12643 154.3
[M]- 275.12753 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.