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]+ 312.207046 173.1
[M+Na]+ 334.188988 181.4
[M-H]- 310.192494 173.9
[M+NH4]+ 329.233593 185.4
[M+K]+ 350.162928 172.5
[M+H-H2O]+ 294.197030 156.5
[M+HCOO]- 356.197971 181.9
[M+CH3COO]- 370.213621 180.3
[M+Na-2H]- 332.174436 171.7
[M]+ 311.19922142 163.3
[M]- 311.20031858 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.