CID 9609277

N'-((6-chloro-4-oxo-4h-chromen-3-yl)methylene)cyclohexanecarbohydrazide

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=COC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2O3/c18-13-6-7-15-14(8-13)16(21)12(10-23-15)9-19-20-17(22)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,22)/b19-9+
InChIKey
FFAIUNZTCLISCN-DJKKODMXSA-N
Compound name
N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09277 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.100046 175.3
[M+Na]+ 355.081988 181.8
[M-H]- 331.085494 184.0
[M+NH4]+ 350.126593 189.4
[M+K]+ 371.055928 177.8
[M+H-H2O]+ 315.090030 167.3
[M+HCOO]- 377.090971 192.3
[M+CH3COO]- 391.106621 213.1
[M+Na-2H]- 353.067436 180.1
[M]+ 332.09222142 175.9
[M]- 332.09331858 175.9
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.