CID 9625509

N'-(1,3-benzodioxol-5-ylmethylene)cyclohexanecarbohydrazide

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H18N2O3/c18-15(12-4-2-1-3-5-12)17-16-9-11-6-7-13-14(8-11)20-10-19-13/h6-9,12H,1-5,10H2,(H,17,18)/b16-9+
InChIKey
KGMWGNSRONWRDC-CXUHLZMHSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 161.8
[M+Na]+ 297.120958 165.2
[M-H]- 273.124464 170.6
[M+NH4]+ 292.165563 177.3
[M+K]+ 313.094898 164.8
[M+H-H2O]+ 257.129000 154.2
[M+HCOO]- 319.129941 182.2
[M+CH3COO]- 333.145591 202.0
[M+Na-2H]- 295.106406 166.8
[M]+ 274.13119142 159.2
[M]- 274.13228858 159.2
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.