CID 12652259

7-benzyl-1,3,7-triazaspiro[4.5]decane-2,4-dione

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CC2(CN(C1)CC3=CC=CC=C3)C(=O)NC(=O)N2
InChI
InChI=1S/C14H17N3O2/c18-12-14(16-13(19)15-12)7-4-8-17(10-14)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,15,16,18,19)
InChIKey
CRGSUMHEXUMJFZ-UHFFFAOYSA-N
Compound name
9-benzyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

259.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 162.5
[M+Na]+ 282.12130 172.9
[M+NH4]+ 277.16590 170.3
[M+K]+ 298.09524 166.9
[M-H]- 258.12480 163.9
[M+Na-2H]- 280.10675 168.4
[M]+ 259.13153 164.1
[M]- 259.13263 164.1
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

patents stripe