CID 12652259

28937-10-2

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

10
Patents

259.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 161.9
[M+Na]+ 282.121298 167.8
[M-H]- 258.124804 163.3
[M+NH4]+ 277.165903 176.7
[M+K]+ 298.095238 162.1
[M+H-H2O]+ 242.129340 152.7
[M+HCOO]- 304.130281 175.0
[M+CH3COO]- 318.145931 171.0
[M+Na-2H]- 280.106746 163.6
[M]+ 259.13153142 153.2
[M]- 259.13262858 153.2
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