CID 9558148

N'-[(e)-(4-chloro-3-nitrophenyl)methylidene]cyclohexanecarbohydrazide

Structural Information

Molecular Formula
C14H16ClN3O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H16ClN3O3/c15-12-7-6-10(8-13(12)18(20)21)9-16-17-14(19)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,19)/b16-9+
InChIKey
FIICRXPXZUNCTJ-CXUHLZMHSA-N
Compound name
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.088 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09528 169.9
[M+Na]+ 332.07722 173.1
[M-H]- 308.08072 176.4
[M+NH4]+ 327.12182 183.9
[M+K]+ 348.05116 165.2
[M+H-H2O]+ 292.08526 167.0
[M+HCOO]- 354.08620 189.4
[M+CH3COO]- 368.10185 202.4
[M+Na-2H]- 330.06267 174.0
[M]+ 309.08745 166.2
[M]- 309.08855 166.2
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.