CID 20116230

3-[(6-chloropyridin-3-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

Structural Information

Molecular Formula
C13H14ClN3O2
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CC3=CN=C(C=C3)Cl
InChI
InChI=1S/C13H14ClN3O2/c14-10-4-3-9(7-15-10)8-17-11(18)13(16-12(17)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKey
UWVRIXWERBRHEV-UHFFFAOYSA-N
Compound name
3-[(6-chloropyridin-3-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08473 163.4
[M+Na]+ 302.06667 172.5
[M-H]- 278.07017 167.1
[M+NH4]+ 297.11127 181.1
[M+K]+ 318.04061 166.5
[M+H-H2O]+ 262.07471 155.2
[M+HCOO]- 324.07565 175.9
[M+CH3COO]- 338.09130 174.2
[M+Na-2H]- 300.05212 163.1
[M]+ 279.07690 160.6
[M]- 279.07800 160.6
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.