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]+ 248.110366 156.5
[M+Na]+ 270.092308 162.5
[M-H]- 246.095814 161.9
[M+NH4]+ 265.136913 176.1
[M+K]+ 286.066248 157.5
[M+H-H2O]+ 230.100350 149.8
[M+HCOO]- 292.101291 168.8
[M+CH3COO]- 306.116941 167.2
[M+Na-2H]- 268.077756 157.1
[M]+ 247.10254142 150.3
[M]- 247.10363858 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.