CID 499779

N-(2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
C1CCC2(CC1)N(C(=O)CS2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H17N3O2S/c18-12-10-20-14(6-2-1-3-7-14)17(12)16-13(19)11-4-8-15-9-5-11/h4-5,8-9H,1-3,6-7,10H2,(H,16,19)
InChIKey
FJUHFLWCBZBKPF-UHFFFAOYSA-N
Compound name
N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 165.4
[M+Na]+ 314.09338 170.5
[M-H]- 290.09688 170.6
[M+NH4]+ 309.13798 181.8
[M+K]+ 330.06732 166.8
[M+H-H2O]+ 274.10142 157.2
[M+HCOO]- 336.10236 178.2
[M+CH3COO]- 350.11801 175.2
[M+Na-2H]- 312.07883 166.4
[M]+ 291.10361 160.8
[M]- 291.10471 160.8
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.