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]+ 390.25398 200.2
[M+Na]+ 412.23592 201.9
[M-H]- 388.23942 207.1
[M+NH4]+ 407.28052 210.6
[M+K]+ 428.20986 194.3
[M+H-H2O]+ 372.24396 185.8
[M+HCOO]- 434.24490 208.7
[M+CH3COO]- 448.26055 205.4
[M+Na-2H]- 410.22137 197.9
[M]+ 389.24615 186.8
[M]- 389.24725 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.