CID 3077273

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

Structural Information

Molecular Formula
C20H27FN2O2
SMILES
CC(C)(C)N1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC1=O
InChI
InChI=1S/C20H27FN2O2/c1-15-20(25-18(24)23(15)19(2,3)4)10-13-22(14-11-20)12-9-16-5-7-17(21)8-6-16/h5-8H,1,9-14H2,2-4H3
InChIKey
CBNXFZRUMRNVEV-UHFFFAOYSA-N
Compound name
3-tert-butyl-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

6
Patents

346.20566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21294 185.1
[M+Na]+ 369.19488 191.8
[M-H]- 345.19838 190.0
[M+NH4]+ 364.23948 198.7
[M+K]+ 385.16882 187.7
[M+H-H2O]+ 329.20292 176.0
[M+HCOO]- 391.20386 196.9
[M+CH3COO]- 405.21951 212.3
[M+Na-2H]- 367.18033 184.6
[M]+ 346.20511 181.4
[M]- 346.20621 181.4
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