CID 98814

1054-89-3

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-21(19-8-3-1-4-9-19)12-7-15-25-16-13-23(14-17-25)22(28)24-18-26(23)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,28)
InChIKey
LAYJMFIIXJDEDW-UHFFFAOYSA-N
Compound name
8-(4-oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.9
[M+Na]+ 400.19955 206.7
[M+NH4]+ 395.24415 202.6
[M+K]+ 416.17349 198.7
[M-H]- 376.20305 199.3
[M+Na-2H]- 398.18500 203.0
[M]+ 377.20978 197.7
[M]- 377.21088 197.7
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

patents stripe