CID 3077306

3-butyl-8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one

Structural Information

Molecular Formula
C20H29FN2O3
SMILES
CCCCN1C(=O)OC2(C1(C)O)CCN(CC2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C20H29FN2O3/c1-3-4-12-23-18(24)26-20(19(23,2)25)10-14-22(15-11-20)13-9-16-5-7-17(21)8-6-16/h5-8,25H,3-4,9-15H2,1-2H3
InChIKey
VWNUQUVAAXKTQC-UHFFFAOYSA-N
Compound name
3-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

364.21622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22350 187.4
[M+Na]+ 387.20544 193.8
[M-H]- 363.20894 190.9
[M+NH4]+ 382.25004 201.4
[M+K]+ 403.17938 189.8
[M+H-H2O]+ 347.21348 178.1
[M+HCOO]- 409.21442 199.4
[M+CH3COO]- 423.23007 212.6
[M+Na-2H]- 385.19089 186.9
[M]+ 364.21567 185.1
[M]- 364.21677 185.1
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

patents stripe