CID 24847114

1,3,8-triazaspiro(4.5)decan-4-one, 1-phenyl-8-(1-phenylcyclohexyl)-, hydrobromide

Structural Information

Molecular Formula
C25H31N3O
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5
InChI
InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29)
InChIKey
QUNZJRVGBKYQDV-UHFFFAOYSA-N
Compound name
1-phenyl-8-(1-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.2467 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.253976 200.2
[M+Na]+ 412.235918 201.9
[M-H]- 388.239424 207.1
[M+NH4]+ 407.280523 210.6
[M+K]+ 428.209858 194.3
[M+H-H2O]+ 372.243960 185.8
[M+HCOO]- 434.244901 208.7
[M+CH3COO]- 448.260551 205.4
[M+Na-2H]- 410.221366 197.9
[M]+ 389.24615142 186.8
[M]- 389.24724858 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.