CID 23456

7041-77-2

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CN(C)CCC(C1=CC(=NO1)C2=CC=CC=C2)O

InChI

InChI=1S/C14H18N2O2/c1-16(2)9-8-13(17)14-10-12(15-18-14)11-6-4-3-5-7-11/h3-7,10,13,17H,8-9H2,1-2H3

InChIKey

KWJLXLLJFQTXHJ-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.13683 Da
Monoisotopic Mass: 1.6
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]+	247.144106	157.6
[M+Na]+	269.126048	163.6
[M-H]-	245.129554	163.6
[M+NH4]+	264.170653	173.5
[M+K]+	285.099988	162.7
[M+H-H2O]+	229.134090	149.5
[M+HCOO]-	291.135031	180.0
[M+CH3COO]-	305.150681	196.3
[M+Na-2H]-	267.111496	161.2
[M]+	246.13628142	159.9
[M]-	246.13737858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe