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]+ 363.207836 189.6
[M+Na]+ 385.189778 192.9
[M-H]- 361.193284 191.7
[M+NH4]+ 380.234383 198.9
[M+K]+ 401.163718 188.7
[M+H-H2O]+ 345.197820 178.4
[M+HCOO]- 407.198761 198.2
[M+CH3COO]- 421.214411 212.6
[M+Na-2H]- 383.175226 188.7
[M]+ 362.20001142 182.7
[M]- 362.20110858 182.7
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.