CID 10538338

8-benzyl-1,3,8-triaza-spiro[4.5]decan-4-one

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CN(CCC12C(=O)NCN2)CC3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c18-13-14(16-11-15-13)6-8-17(9-7-14)10-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,18)
InChIKey
BCWSNKPUZNJPGJ-UHFFFAOYSA-N
Compound name
8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

245.15282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 159.6
[M+Na]+ 268.142038 164.4
[M-H]- 244.145544 160.6
[M+NH4]+ 263.186643 174.8
[M+K]+ 284.115978 158.7
[M+H-H2O]+ 228.150080 150.1
[M+HCOO]- 290.151021 172.4
[M+CH3COO]- 304.166671 168.4
[M+Na-2H]- 266.127486 161.9
[M]+ 245.15227142 149.8
[M]- 245.15336858 149.8
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

patents stripe