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

8
Patents

346.20566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.212936 185.1
[M+Na]+ 369.194878 191.8
[M-H]- 345.198384 190.0
[M+NH4]+ 364.239483 198.7
[M+K]+ 385.168818 187.7
[M+H-H2O]+ 329.202920 176.0
[M+HCOO]- 391.203861 196.9
[M+CH3COO]- 405.219511 212.3
[M+Na-2H]- 367.180326 184.6
[M]+ 346.20511142 181.4
[M]- 346.20620858 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