CID 24847109

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

Structural Information

Molecular Formula
C25H29N3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCC#CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3O/c1-26-21-28(23-14-8-3-9-15-23)25(24(26)29)16-19-27(20-17-25)18-10-4-7-13-22-11-5-2-6-12-22/h2-3,5-6,8-9,11-12,14-15H,4,10,16-21H2,1H3
InChIKey
VVVYFUYTFYIIDN-UHFFFAOYSA-N
Compound name
3-methyl-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

387.23105 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.238326 196.6
[M+Na]+ 410.220268 204.1
[M-H]- 386.223774 199.0
[M+NH4]+ 405.264873 205.4
[M+K]+ 426.194208 192.2
[M+H-H2O]+ 370.228310 177.8
[M+HCOO]- 432.229251 204.4
[M+CH3COO]- 446.244901 201.8
[M+Na-2H]- 408.205716 193.5
[M]+ 387.23050142 185.6
[M]- 387.23159858 185.6
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.