CID 3077295

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

Structural Information

Molecular Formula
C17H23FN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C)O
InChI
InChI=1S/C17H23FN2O3/c1-16(22)17(23-15(21)19(16)2)8-11-20(12-9-17)10-7-13-3-5-14(18)6-4-13/h3-6,22H,7-12H2,1-2H3
InChIKey
UGXBRFVWHZKUSR-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

322.16928 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17656 174.4
[M+Na]+ 345.15850 182.1
[M-H]- 321.16200 178.5
[M+NH4]+ 340.20310 190.2
[M+K]+ 361.13244 178.8
[M+H-H2O]+ 305.16654 165.7
[M+HCOO]- 367.16748 187.4
[M+CH3COO]- 381.18313 203.7
[M+Na-2H]- 343.14395 175.4
[M]+ 322.16873 171.1
[M]- 322.16983 171.1
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