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 204.6
[M+Na]+ 452.23199 205.9
[M-H]- 428.23549 209.9
[M+NH4]+ 447.27659 212.4
[M+K]+ 468.20593 203.5
[M+H-H2O]+ 412.24003 191.2
[M+HCOO]- 474.24097 212.3
[M+CH3COO]- 488.25662 209.5
[M+Na-2H]- 450.21744 198.1
[M]+ 429.24222 193.1
[M]- 429.24332 193.1
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.