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 201.6
[M+Na]+ 440.23199 206.3
[M-H]- 416.23549 204.2
[M+NH4]+ 435.27659 211.7
[M+K]+ 456.20593 201.7
[M+H-H2O]+ 400.24003 191.3
[M+HCOO]- 462.24097 210.9
[M+CH3COO]- 476.25662 229.2
[M+Na-2H]- 438.21744 194.4
[M]+ 417.24222 198.8
[M]- 417.24332 198.8
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.