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 194.3
[M+Na]+ 400.19955 197.3
[M-H]- 376.20305 199.1
[M+NH4]+ 395.24415 203.9
[M+K]+ 416.17349 190.4
[M+H-H2O]+ 360.20759 182.1
[M+HCOO]- 422.20853 205.9
[M+CH3COO]- 436.22418 200.8
[M+Na-2H]- 398.18500 192.7
[M]+ 377.20978 186.9
[M]- 377.21088 186.9
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