CID 6247133

1,3,8-triazaspiro(4.5)decan-4-one, 8-(p-fluorocinnamoyl)-3-methyl-1-phenyl-

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 197.7
[M+Na]+ 416.17446 203.5
[M-H]- 392.17796 203.3
[M+NH4]+ 411.21906 208.0
[M+K]+ 432.14840 196.3
[M+H-H2O]+ 376.18250 184.8
[M+HCOO]- 438.18344 209.9
[M+CH3COO]- 452.19909 205.0
[M+Na-2H]- 414.15991 194.4
[M]+ 393.18469 191.1
[M]- 393.18579 191.1
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.