CID 6247133

8-(p-fluorocinnamoyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane

Structural Information

Molecular Formula
C23H24FN3O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C23H24FN3O2/c1-25-17-27(20-5-3-2-4-6-20)23(22(25)29)13-15-26(16-14-23)21(28)12-9-18-7-10-19(24)11-8-18/h2-12H,13-17H2,1H3/b12-9+
InChIKey
ACQCSKIQSVFUFB-FMIVXFBMSA-N
Compound name
8-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18524 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19252 198.8
[M+Na]+ 416.17446 210.7
[M+NH4]+ 411.21906 205.7
[M+K]+ 432.14840 202.8
[M-H]- 392.17796 201.9
[M+Na-2H]- 414.15991 205.8
[M]+ 393.18469 201.2
[M]- 393.18579 201.2
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.