CID 44470

1,3-dioxa-9-azaspiro(5.5)undecane, 9-(3-(p-fluorobenzoyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C18H24FNO3
SMILES
C1CN(CCC12CCOCO2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H24FNO3/c19-16-5-3-15(4-6-16)17(21)2-1-10-20-11-7-18(8-12-20)9-13-22-14-23-18/h3-6H,1-2,7-14H2
InChIKey
VLGSTPCERHONAJ-UHFFFAOYSA-N
Compound name
4-(1,3-dioxa-9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18128 180.6
[M+Na]+ 344.16322 191.3
[M+NH4]+ 339.20782 188.8
[M+K]+ 360.13716 182.8
[M-H]- 320.16672 185.8
[M+Na-2H]- 342.14867 186.1
[M]+ 321.17345 183.6
[M]- 321.17455 183.6
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

No patent data available for this compound.