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]+ 388.23833 196.6
[M+Na]+ 410.22027 204.1
[M-H]- 386.22377 199.0
[M+NH4]+ 405.26487 205.4
[M+K]+ 426.19421 192.2
[M+H-H2O]+ 370.22831 177.8
[M+HCOO]- 432.22925 204.4
[M+CH3COO]- 446.24490 201.8
[M+Na-2H]- 408.20572 193.5
[M]+ 387.23050 185.6
[M]- 387.23160 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.