CID 380365

54286-36-1

Structural Information

Molecular Formula
C25H29FN4O3
SMILES
CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C25H29FN4O3/c1-27-24(33)29-18-30(21-6-3-2-4-7-21)25(23(29)32)13-16-28(17-14-25)15-5-8-22(31)19-9-11-20(26)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,27,33)
InChIKey
OONUEIPUZLURQN-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.22238 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22966 210.9
[M+Na]+ 475.21160 220.1
[M+NH4]+ 470.25620 216.1
[M+K]+ 491.18554 213.8
[M-H]- 451.21510 213.4
[M+Na-2H]- 473.19705 216.6
[M]+ 452.22183 212.5
[M]- 452.22293 212.5
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.