CID 40905

3-methyl-5-(beta-diethylamino-o-ethoxyphenyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCN(CC)CCOC1=CC=CC=C1C2=CC(=NO2)C
InChI
InChI=1S/C16H22N2O2/c1-4-18(5-2)10-11-19-15-9-7-6-8-14(15)16-12-13(3)17-20-16/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey
PRYADGKVLDQWOG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 166.1
[M+Na]+ 297.157338 172.9
[M-H]- 273.160844 173.5
[M+NH4]+ 292.201943 182.0
[M+K]+ 313.131278 171.9
[M+H-H2O]+ 257.165380 157.5
[M+HCOO]- 319.166321 190.4
[M+CH3COO]- 333.181971 205.1
[M+Na-2H]- 295.142786 169.5
[M]+ 274.16757142 172.0
[M]- 274.16866858 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.