CID 5271222

98033-69-3

Structural Information

Molecular Formula

C₁₈H₂₁FN₂O₃

SMILES

CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)F

InChI

InChI=1S/C18H21FN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3

InChIKey

XZNMYOWUTWBQCE-UHFFFAOYSA-N

Compound name

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-fluorophenoxy]pentyl]-3-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 332.15363 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.16091	176.6
[M+Na]+	355.14285	184.2
[M-H]-	331.14635	183.8
[M+NH4]+	350.18745	188.5
[M+K]+	371.11679	182.3
[M+H-H2O]+	315.15089	167.1
[M+HCOO]-	377.15183	196.1
[M+CH3COO]-	391.16748	207.8
[M+Na-2H]-	353.12830	176.7
[M]+	332.15308	181.2
[M]-	332.15418	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe