CID 2811801

Maybridge3_002347

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

CCC1=CC=CC=C1CN2C3=C(C=CC=N3)OC2=O

InChI

InChI=1S/C15H14N2O2/c1-2-11-6-3-4-7-12(11)10-17-14-13(19-15(17)18)8-5-9-16-14/h3-9H,2,10H2,1H3

InChIKey

XTZVKWCDGUIAAR-UHFFFAOYSA-N

Compound name

3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 254.10553 Da
Monoisotopic Mass: 2.9
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]+	255.112806	155.5
[M+Na]+	277.094748	167.3
[M-H]-	253.098254	162.3
[M+NH4]+	272.139353	171.8
[M+K]+	293.068688	163.5
[M+H-H2O]+	237.102790	147.1
[M+HCOO]-	299.103731	178.6
[M+CH3COO]-	313.119381	169.2
[M+Na-2H]-	275.080196	162.6
[M]+	254.10498142	160.8
[M]-	254.10607858	160.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.