CID 58910

Aniline, 2,5-dimethoxy-n-(2-oxazolin-2-yl)-

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

COC1=CC(=C(C=C1)OC)NC2=NCCO2

InChI

InChI=1S/C11H14N2O3/c1-14-8-3-4-10(15-2)9(7-8)13-11-12-5-6-16-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)

InChIKey

QMKKYQIMEGYVDH-UHFFFAOYSA-N

Compound name

N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.10045 Da
Monoisotopic Mass: 1.1
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]+	223.107726	146.7
[M+Na]+	245.089668	154.4
[M-H]-	221.093174	153.1
[M+NH4]+	240.134273	164.0
[M+K]+	261.063608	154.0
[M+H-H2O]+	205.097710	139.1
[M+HCOO]-	267.098651	171.0
[M+CH3COO]-	281.114301	188.5
[M+Na-2H]-	243.075116	152.8
[M]+	222.09990142	149.5
[M]-	222.10099858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe