CID 71117

Roxoperone

Structural Information

Molecular Formula
C19H23FN2O3
SMILES
CN1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H23FN2O3/c1-21-17(24)13-19(18(21)25)8-11-22(12-9-19)10-2-3-16(23)14-4-6-15(20)7-5-14/h4-7H,2-3,8-13H2,1H3
InChIKey
YJPFLFAWBYRCEH-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

346.16928 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17656 185.6
[M+Na]+ 369.15850 195.1
[M+NH4]+ 364.20310 192.3
[M+K]+ 385.13244 188.8
[M-H]- 345.16200 186.3
[M+Na-2H]- 367.14395 189.7
[M]+ 346.16873 186.9
[M]- 346.16983 186.9
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