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]+ 275.13902 161.8
[M+Na]+ 297.12096 165.2
[M-H]- 273.12446 170.6
[M+NH4]+ 292.16556 177.3
[M+K]+ 313.09490 164.8
[M+H-H2O]+ 257.12900 154.2
[M+HCOO]- 319.12994 182.2
[M+CH3COO]- 333.14559 202.0
[M+Na-2H]- 295.10641 166.8
[M]+ 274.13119 159.2
[M]- 274.13229 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.