CID 3077298

134070-08-9

Structural Information

Molecular Formula
C20H29FN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C(C)(C)C)O
InChI
InChI=1S/C20H29FN2O3/c1-18(2,3)23-17(24)26-20(19(23,4)25)10-13-22(14-11-20)12-9-15-5-7-16(21)8-6-15/h5-8,25H,9-14H2,1-4H3
InChIKey
JESXOKBOXNNXDY-UHFFFAOYSA-N
Compound name
3-tert-butyl-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

5
Patents

364.21622 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22350 187.4
[M+Na]+ 387.20544 194.3
[M-H]- 363.20894 191.3
[M+NH4]+ 382.25004 201.7
[M+K]+ 403.17938 191.1
[M+H-H2O]+ 347.21348 179.2
[M+HCOO]- 409.21442 197.8
[M+CH3COO]- 423.23007 212.5
[M+Na-2H]- 385.19089 188.3
[M]+ 364.21567 184.6
[M]- 364.21677 184.6
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

patents stripe