CID 135491483

2-[3-(diethylamino)isoxazol-5-yl]-5-ethoxy-phenol

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OCC)O
InChI
InChI=1S/C15H20N2O3/c1-4-17(5-2)15-10-14(20-16-15)12-8-7-11(19-6-3)9-13(12)18/h7-10,18H,4-6H2,1-3H3
InChIKey
BMNGEBSKTWCOPV-UHFFFAOYSA-N
Compound name
2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 164.6
[M+Na]+ 299.13662 172.2
[M-H]- 275.14012 171.2
[M+NH4]+ 294.18122 179.9
[M+K]+ 315.11056 171.1
[M+H-H2O]+ 259.14466 156.6
[M+HCOO]- 321.14560 187.9
[M+CH3COO]- 335.16125 202.9
[M+Na-2H]- 297.12207 167.5
[M]+ 276.14685 170.1
[M]- 276.14795 170.1
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.