CID 108298

Brn 0566898

Structural Information

Molecular Formula
C20H27FN2O3
SMILES
CCC1CC2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N1
InChI
InChI=1S/C20H27FN2O3/c1-2-17-14-20(26-19(25)22-17)9-12-23(13-10-20)11-3-4-18(24)15-5-7-16(21)8-6-15/h5-8,17H,2-4,9-14H2,1H3,(H,22,25)
InChIKey
KWZBJFJOOGJFFR-UHFFFAOYSA-N
Compound name
4-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.20056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20784 191.8
[M+Na]+ 385.18978 201.6
[M+NH4]+ 380.23438 198.2
[M+K]+ 401.16372 193.3
[M-H]- 361.19328 194.1
[M+Na-2H]- 383.17523 195.7
[M]+ 362.20001 193.6
[M]- 362.20111 193.6
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.