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]+ 263.13902 159.9
[M+Na]+ 285.12096 167.9
[M-H]- 261.12446 166.7
[M+NH4]+ 280.16556 175.8
[M+K]+ 301.09490 167.1
[M+H-H2O]+ 245.12900 152.1
[M+HCOO]- 307.12994 183.5
[M+CH3COO]- 321.14559 199.9
[M+Na-2H]- 283.10641 163.4
[M]+ 262.13119 165.1
[M]- 262.13229 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.