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 173.1
[M+Na]+ 334.18899 181.4
[M-H]- 310.19249 173.9
[M+NH4]+ 329.23359 185.4
[M+K]+ 350.16293 172.5
[M+H-H2O]+ 294.19703 156.5
[M+HCOO]- 356.19797 181.9
[M+CH3COO]- 370.21362 180.3
[M+Na-2H]- 332.17444 171.7
[M]+ 311.19922 163.3
[M]- 311.20032 163.3
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.