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]+ 374.222696 193.7
[M+Na]+ 396.204638 200.4
[M-H]- 372.208144 194.8
[M+NH4]+ 391.249243 202.1
[M+K]+ 412.178578 188.0
[M+H-H2O]+ 356.212680 175.2
[M+HCOO]- 418.213621 200.5
[M+CH3COO]- 432.229271 198.4
[M+Na-2H]- 394.190086 191.3
[M]+ 373.21487142 180.5
[M]- 373.21596858 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.