CID 135491486

4-[3-(diethylamino)isoxazol-5-yl]benzene-1,3-diol

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H16N2O3/c1-3-15(4-2)13-8-12(18-14-13)10-6-5-9(16)7-11(10)17/h5-8,16-17H,3-4H2,1-2H3
InChIKey
XDBTZLOUESSEMG-UHFFFAOYSA-N
Compound name
4-[3-(diethylamino)-1,2-oxazol-5-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.7
[M+Na]+ 271.10531 163.7
[M-H]- 247.10881 161.3
[M+NH4]+ 266.14991 171.4
[M+K]+ 287.07925 162.2
[M+H-H2O]+ 231.11335 148.3
[M+HCOO]- 293.11429 178.1
[M+CH3COO]- 307.12994 194.5
[M+Na-2H]- 269.09076 159.2
[M]+ 248.11554 158.6
[M]- 248.11664 158.6
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.