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 177.7
[M+Na]+ 344.16322 180.4
[M-H]- 320.16672 182.9
[M+NH4]+ 339.20782 189.0
[M+K]+ 360.13716 179.2
[M+H-H2O]+ 304.17126 167.1
[M+HCOO]- 366.17220 188.8
[M+CH3COO]- 380.18785 204.8
[M+Na-2H]- 342.14867 180.2
[M]+ 321.17345 171.8
[M]- 321.17455 171.8
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.