CID 70556

1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1CNCCC12C(=O)NCN2C3=CC=CC=C3
InChI
InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
InChIKey
HTQWGIHCFPWKAS-UHFFFAOYSA-N
Compound name
1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

988
Patents

231.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 156.0
[M+Na]+ 254.12638 166.8
[M+NH4]+ 249.17098 164.8
[M+K]+ 270.10032 160.3
[M-H]- 230.12988 158.1
[M+Na-2H]- 252.11183 163.0
[M]+ 231.13661 158.0
[M]- 231.13771 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe