CID 24847107

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

Structural Information

Molecular Formula
C19H25N3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCC#C)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O/c1-3-4-8-13-21-14-11-19(12-15-21)18(23)20(2)16-22(19)17-9-6-5-7-10-17/h1,5-7,9-10H,4,8,11-16H2,2H3
InChIKey
SZWBTAPXGFJIJF-UHFFFAOYSA-N
Compound name
3-methyl-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

311.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 177.4
[M+Na]+ 334.18899 188.8
[M+NH4]+ 329.23359 182.2
[M+K]+ 350.16293 177.9
[M-H]- 310.19249 172.0
[M+Na-2H]- 332.17444 180.4
[M]+ 311.19922 176.7
[M]- 311.20032 176.7
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.