CID 49768031

1-(6-methyl-2-pyridyl)-4-thia-1-azaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C14H18N2OS
SMILES
CC1=NC(=CC=C1)N2C(=O)CSC23CCCCC3
InChI
InChI=1S/C14H18N2OS/c1-11-6-5-7-12(15-11)16-13(17)10-18-14(16)8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3
InChIKey
KTUVCPRPYFEMGI-UHFFFAOYSA-N
Compound name
4-(6-methylpyridin-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.11398 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12126 160.0
[M+Na]+ 285.10320 167.2
[M-H]- 261.10670 165.7
[M+NH4]+ 280.14780 178.6
[M+K]+ 301.07714 163.0
[M+H-H2O]+ 245.11124 152.2
[M+HCOO]- 307.11218 172.5
[M+CH3COO]- 321.12783 171.0
[M+Na-2H]- 283.08865 160.1
[M]+ 262.11343 156.4
[M]- 262.11453 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.