CID 6481763

3-isoxazolamine, 5-(2-ethoxy-4-methoxyphenyl)-n,n-diethyl-

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OC)OCC
InChI
InChI=1S/C16H22N2O3/c1-5-18(6-2)16-11-15(21-17-16)13-9-8-12(19-4)10-14(13)20-7-3/h8-11H,5-7H2,1-4H3
InChIKey
ROXCYCOZEPLSNZ-UHFFFAOYSA-N
Compound name
5-(2-ethoxy-4-methoxyphenyl)-N,N-diethyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.0
[M+Na]+ 313.15228 176.5
[M-H]- 289.15578 176.7
[M+NH4]+ 308.19688 184.4
[M+K]+ 329.12622 176.1
[M+H-H2O]+ 273.16032 160.5
[M+HCOO]- 335.16126 193.4
[M+CH3COO]- 349.17691 208.4
[M+Na-2H]- 311.13773 171.7
[M]+ 290.16251 176.6
[M]- 290.16361 176.6
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.