CID 24847112

1,3,8-triazaspiro(4.5)decan-4-one, 8-(4-pentynyl)-1-phenyl-

Structural Information

Molecular Formula
C18H23N3O
SMILES
C#CCCCN1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O/c1-2-3-7-12-20-13-10-18(11-14-20)17(22)19-15-21(18)16-8-5-4-6-9-16/h1,4-6,8-9H,3,7,10-15H2,(H,19,22)
InChIKey
WRDCUKQSBKYWIQ-UHFFFAOYSA-N
Compound name
8-pent-4-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

297.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 170.9
[M+Na]+ 320.17332 178.5
[M-H]- 296.17682 170.3
[M+NH4]+ 315.21792 182.8
[M+K]+ 336.14726 169.0
[M+H-H2O]+ 280.18136 154.6
[M+HCOO]- 342.18230 178.7
[M+CH3COO]- 356.19795 177.6
[M+Na-2H]- 318.15877 170.2
[M]+ 297.18355 158.9
[M]- 297.18465 158.9
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.