CID 3077251

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

Structural Information

Molecular Formula
C22H29FN2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C4CCCCC4
InChI
InChI=1S/C22H29FN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h7-10,20H,1-6,11-16H2
InChIKey
IEXYYBDEFFUBMZ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

372.2213 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22858 193.8
[M+Na]+ 395.21052 197.2
[M-H]- 371.21402 200.2
[M+NH4]+ 390.25512 205.0
[M+K]+ 411.18446 192.0
[M+H-H2O]+ 355.21856 181.9
[M+HCOO]- 417.21950 203.3
[M+CH3COO]- 431.23515 200.8
[M+Na-2H]- 393.19597 189.5
[M]+ 372.22075 184.1
[M]- 372.22185 184.1
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