CID 135491480

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

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C14H18N2O3/c1-4-16(5-2)14-9-13(19-15-14)11-7-6-10(18-3)8-12(11)17/h6-9,17H,4-5H2,1-3H3
InChIKey
RMTDOTIRXVTIJN-UHFFFAOYSA-N
Compound name
2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 159.9
[M+Na]+ 285.120958 167.9
[M-H]- 261.124464 166.7
[M+NH4]+ 280.165563 175.8
[M+K]+ 301.094898 167.1
[M+H-H2O]+ 245.129000 152.1
[M+HCOO]- 307.129941 183.5
[M+CH3COO]- 321.145591 199.9
[M+Na-2H]- 283.106406 163.4
[M]+ 262.13119142 165.1
[M]- 262.13228858 165.1
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.