CID 66545182

3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride

Structural Information

Molecular Formula
C13H14Cl2N2O2
SMILES
C1CNCCC12CN(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2
InChIKey
FEVORZJCVGQUKH-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04324 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05052 165.7
[M+Na]+ 323.03246 174.1
[M-H]- 299.03596 169.9
[M+NH4]+ 318.07706 181.2
[M+K]+ 339.00640 168.5
[M+H-H2O]+ 283.04050 158.2
[M+HCOO]- 345.04144 171.0
[M+CH3COO]- 359.05709 175.7
[M+Na-2H]- 321.01791 167.0
[M]+ 300.04269 162.7
[M]- 300.04379 162.7
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.