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]+ 312.207046 174.5
[M+Na]+ 334.188988 181.7
[M-H]- 310.192494 173.8
[M+NH4]+ 329.233593 185.9
[M+K]+ 350.162928 172.0
[M+H-H2O]+ 294.197030 158.0
[M+HCOO]- 356.197971 182.0
[M+CH3COO]- 370.213621 180.8
[M+Na-2H]- 332.174436 173.3
[M]+ 311.19922142 162.8
[M]- 311.20031858 162.8
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

No patent data available for this compound.