CID 50853227

8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one

Structural Information

Molecular Formula
C14H17NOS
SMILES
C1CC2(CCC1C3=CC=CC=C3)NC(=O)CS2
InChI
InChI=1S/C14H17NOS/c16-13-10-17-14(15-13)8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKey
ZZULYAVBOQSSIA-UHFFFAOYSA-N
Compound name
8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10309 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11037 156.5
[M+Na]+ 270.09231 162.5
[M-H]- 246.09581 161.9
[M+NH4]+ 265.13691 176.1
[M+K]+ 286.06625 157.5
[M+H-H2O]+ 230.10035 149.8
[M+HCOO]- 292.10129 168.8
[M+CH3COO]- 306.11694 167.2
[M+Na-2H]- 268.07776 157.1
[M]+ 247.10254 150.3
[M]- 247.10364 150.3
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.