CID 24847079

1,3,8-triazaspiro(4.5)decane-2,4-dione, 1,3-diisopropyl-8-(3-(p-fluorobenzoyl)propyl)-

Structural Information

Molecular Formula
C23H32FN3O3
SMILES
CC(C)N1C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(C1=O)C(C)C
InChI
InChI=1S/C23H32FN3O3/c1-16(2)26-21(29)23(27(17(3)4)22(26)30)11-14-25(15-12-23)13-5-6-20(28)18-7-9-19(24)10-8-18/h7-10,16-17H,5-6,11-15H2,1-4H3
InChIKey
SQXQLBHZKGQUBH-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-di(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.24277 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25005 204.5
[M+Na]+ 440.23199 212.5
[M+NH4]+ 435.27659 209.3
[M+K]+ 456.20593 207.6
[M-H]- 416.23549 203.8
[M+Na-2H]- 438.21744 206.4
[M]+ 417.24222 205.0
[M]- 417.24332 205.0
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.