CID 98811

28936-94-9

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CN(CCC12C(=O)NC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C14H17N3O2/c18-12-14(16-13(19)15-12)6-8-17(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18,19)
InChIKey
ISFXLJGTXHSNDU-UHFFFAOYSA-N
Compound name
8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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 161.9
[M+Na]+ 282.12130 167.8
[M-H]- 258.12480 163.3
[M+NH4]+ 277.16590 176.7
[M+K]+ 298.09524 162.1
[M+H-H2O]+ 242.12934 152.7
[M+HCOO]- 304.13028 175.0
[M+CH3COO]- 318.14593 171.0
[M+Na-2H]- 280.10675 163.6
[M]+ 259.13153 153.2
[M]- 259.13263 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