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 193.7
[M+Na]+ 396.20464 200.4
[M-H]- 372.20814 194.8
[M+NH4]+ 391.24924 202.1
[M+K]+ 412.17858 188.0
[M+H-H2O]+ 356.21268 175.2
[M+HCOO]- 418.21362 200.5
[M+CH3COO]- 432.22927 198.4
[M+Na-2H]- 394.19009 191.3
[M]+ 373.21487 180.5
[M]- 373.21597 180.5
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.