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]+ 333.10005 175.3
[M+Na]+ 355.08199 181.8
[M-H]- 331.08549 184.0
[M+NH4]+ 350.12659 189.4
[M+K]+ 371.05593 177.8
[M+H-H2O]+ 315.09003 167.3
[M+HCOO]- 377.09097 192.3
[M+CH3COO]- 391.10662 213.1
[M+Na-2H]- 353.06744 180.1
[M]+ 332.09222 175.9
[M]- 332.09332 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.