CID 24847105

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

Structural Information

Molecular Formula
C22H31N3O
SMILES
CCCC#CCCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C
InChI
InChI=1S/C22H31N3O/c1-3-4-5-6-7-11-16-24-17-14-22(15-18-24)21(26)23(2)19-25(22)20-12-9-8-10-13-20/h8-10,12-13H,3-4,7,11,14-19H2,1-2H3
InChIKey
HNDUMFZZMIJFMB-UHFFFAOYSA-N
Compound name
3-methyl-8-oct-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

353.2467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.25398 189.5
[M+Na]+ 376.23592 200.4
[M+NH4]+ 371.28052 193.9
[M+K]+ 392.20986 188.9
[M-H]- 352.23942 184.1
[M+Na-2H]- 374.22137 191.8
[M]+ 353.24615 188.7
[M]- 353.24725 188.7
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.