CID 719635

109495-48-9

Structural Information

Molecular Formula

C₁₅H₁₃N₂O

SMILES

C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C15H13N2O/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12/h2-11H,1H3/q+1

InChIKey

RBTBRTFLJPUNAT-UHFFFAOYSA-N

Compound name

2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.10278 Da
Monoisotopic Mass: 3.7
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]+	238.11006	154.6
[M+Na]+	260.09200	163.8
[M-H]-	236.09550	163.2
[M+NH4]+	255.13660	169.5
[M+K]+	276.06594	154.9
[M+H-H2O]+	220.10004	148.1
[M+HCOO]-	282.10098	177.0
[M+CH3COO]-	296.11663	184.1
[M+Na-2H]-	258.07745	163.1
[M]+	237.10223	154.7
[M]-	237.10333	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe