CID 10085812

288862-83-9

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

C1=CC=C(C=C1)CCCCCC(=O)C2=NC3=C(O2)C=CC=N3

InChI

InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2

InChIKey

VPZHQLPAKFVGKX-UHFFFAOYSA-N

Compound name

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 466
Patents: 294.13684 Da
Monoisotopic Mass: 4.4
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]+	295.14412	169.0
[M+Na]+	317.12606	177.1
[M-H]-	293.12956	174.4
[M+NH4]+	312.17066	182.7
[M+K]+	333.10000	173.1
[M+H-H2O]+	277.13410	159.6
[M+HCOO]-	339.13504	190.0
[M+CH3COO]-	353.15069	180.5
[M+Na-2H]-	315.11151	174.7
[M]+	294.13629	173.8
[M]-	294.13739	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe