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]+ 275.17540 166.1
[M+Na]+ 297.15734 172.9
[M-H]- 273.16084 173.5
[M+NH4]+ 292.20194 182.0
[M+K]+ 313.13128 171.9
[M+H-H2O]+ 257.16538 157.5
[M+HCOO]- 319.16632 190.4
[M+CH3COO]- 333.18197 205.1
[M+Na-2H]- 295.14279 169.5
[M]+ 274.16757 172.0
[M]- 274.16867 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.