CID 380292

101607-45-8

Structural Information

Molecular Formula
C24H32FN3O3
SMILES
C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H32FN3O3/c25-20-9-7-19(8-10-20)21(29)6-5-13-26-16-11-24(12-17-26)18-22(30)28(23(24)31)27-14-3-1-2-4-15-27/h7-10H,1-6,11-18H2
InChIKey
ALGMMJAQGMCYIY-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-2,8-diazaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.24277 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25005 207.3
[M+Na]+ 452.23199 213.7
[M+NH4]+ 447.27659 212.4
[M+K]+ 468.20593 208.6
[M-H]- 428.23549 208.7
[M+Na-2H]- 450.21744 210.6
[M]+ 429.24222 208.3
[M]- 429.24332 208.3
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.