CID 24847115

1,3,8-triazaspiro(4.5)decan-4-one, 1-phenyl-8-(5-phenylpent-4-ynyl)-

Structural Information

Molecular Formula
C24H27N3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC#CC4=CC=CC=C4
InChI
InChI=1S/C24H27N3O/c28-23-24(27(20-25-23)22-13-7-2-8-14-22)15-18-26(19-16-24)17-9-3-6-12-21-10-4-1-5-11-21/h1-2,4-5,7-8,10-11,13-14H,3,9,15-20H2,(H,25,28)
InChIKey
WKIMCAIVVAXXBM-UHFFFAOYSA-N
Compound name
1-phenyl-8-(5-phenylpent-4-ynyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 197.5
[M+Na]+ 396.20464 209.7
[M+NH4]+ 391.24924 202.2
[M+K]+ 412.17858 197.3
[M-H]- 372.20814 193.9
[M+Na-2H]- 394.19009 202.1
[M]+ 373.21487 197.5
[M]- 373.21597 197.5
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.