CID 135491484

5-ethoxy-2-[3-(1-piperidyl)isoxazol-5-yl]phenol

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCOC1=CC(=C(C=C1)C2=CC(=NO2)N3CCCCC3)O
InChI
InChI=1S/C16H20N2O3/c1-2-20-12-6-7-13(14(19)10-12)15-11-16(17-21-15)18-8-4-3-5-9-18/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKey
OZUQFIPRUNDDIG-UHFFFAOYSA-N
Compound name
5-ethoxy-2-(3-piperidin-1-yl-1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.8
[M+Na]+ 311.13662 172.9
[M-H]- 287.14012 172.9
[M+NH4]+ 306.18122 179.1
[M+K]+ 327.11056 170.1
[M+H-H2O]+ 271.14466 157.5
[M+HCOO]- 333.14560 183.9
[M+CH3COO]- 347.16125 177.3
[M+Na-2H]- 309.12207 168.5
[M]+ 288.14685 165.7
[M]- 288.14795 165.7
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.