CID 120580

Brn 0631110

Structural Information

Molecular Formula
C23H28FN3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCCC4=CC=C(C=C4)F
InChI
InChI=1S/C23H28FN3O/c24-20-11-9-19(10-12-20)6-4-5-15-26-16-13-23(14-17-26)22(28)25-18-27(23)21-7-2-1-3-8-21/h1-3,7-12H,4-6,13-18H2,(H,25,28)
InChIKey
NNXYSTMMMHUVPK-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

381.22165 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22893 198.1
[M+Na]+ 404.21087 209.9
[M+NH4]+ 399.25547 205.8
[M+K]+ 420.18481 200.8
[M-H]- 380.21437 201.7
[M+Na-2H]- 402.19632 205.6
[M]+ 381.22110 200.7
[M]- 381.22220 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe