CID 3077296

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

Structural Information

Molecular Formula
C22H31FN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C4CCCCC4)O
InChI
InChI=1S/C22H31FN2O3/c1-21(27)22(28-20(26)25(21)19-5-3-2-4-6-19)12-15-24(16-13-22)14-11-17-7-9-18(23)10-8-17/h7-10,19,27H,2-6,11-16H2,1H3
InChIKey
JKRDGUNXJABQFX-UHFFFAOYSA-N
Compound name
3-cyclohexyl-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

10
Patents

390.23187 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23915 196.6
[M+Na]+ 413.22109 200.3
[M-H]- 389.22459 202.1
[M+NH4]+ 408.26569 208.5
[M+K]+ 429.19503 196.0
[M+H-H2O]+ 373.22913 185.4
[M+HCOO]- 435.23007 204.7
[M+CH3COO]- 449.24572 203.3
[M+Na-2H]- 411.20654 193.5
[M]+ 390.23132 187.9
[M]- 390.23242 187.9
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