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 189.6
[M+Na]+ 385.18978 192.9
[M-H]- 361.19328 191.7
[M+NH4]+ 380.23438 198.9
[M+K]+ 401.16372 188.7
[M+H-H2O]+ 345.19782 178.4
[M+HCOO]- 407.19876 198.2
[M+CH3COO]- 421.21441 212.6
[M+Na-2H]- 383.17523 188.7
[M]+ 362.20001 182.7
[M]- 362.20111 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.