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]+ 418.250046 201.6
[M+Na]+ 440.231988 206.3
[M-H]- 416.235494 204.2
[M+NH4]+ 435.276593 211.7
[M+K]+ 456.205928 201.7
[M+H-H2O]+ 400.240030 191.3
[M+HCOO]- 462.240971 210.9
[M+CH3COO]- 476.256621 229.2
[M+Na-2H]- 438.217436 194.4
[M]+ 417.24222142 198.8
[M]- 417.24331858 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.