CID 24847102

1,3,8-triazaspiro(4.5)decan-4-one, 8-(hex-5-ynyl)-1-phenyl-

Structural Information

Molecular Formula
C19H25N3O
SMILES
C#CCCCCN1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O/c1-2-3-4-8-13-21-14-11-19(12-15-21)18(23)20-16-22(19)17-9-6-5-7-10-17/h1,5-7,9-10H,3-4,8,11-16H2,(H,20,23)
InChIKey
IMXPKRIBUDLIBF-UHFFFAOYSA-N
Compound name
8-hex-5-ynyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 179.2
[M+Na]+ 334.18899 189.7
[M+NH4]+ 329.23359 183.6
[M+K]+ 350.16293 178.9
[M-H]- 310.19249 173.3
[M+Na-2H]- 332.17444 181.7
[M]+ 311.19922 178.1
[M]- 311.20032 178.1
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

No patent data available for this compound.