CID 135491482

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

Structural Information

Molecular Formula
C15H18N2O3
SMILES
COC1=CC(=C(C=C1)C2=CC(=NO2)N3CCCCC3)O
InChI
InChI=1S/C15H18N2O3/c1-19-11-5-6-12(13(18)9-11)14-10-15(16-20-14)17-7-3-2-4-8-17/h5-6,9-10,18H,2-4,7-8H2,1H3
InChIKey
CDCPMBJVRFCDRD-UHFFFAOYSA-N
Compound name
5-methoxy-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

274.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.3
[M+Na]+ 297.12096 168.9
[M-H]- 273.12446 168.6
[M+NH4]+ 292.16556 175.2
[M+K]+ 313.09490 166.3
[M+H-H2O]+ 257.12900 153.2
[M+HCOO]- 319.12994 179.7
[M+CH3COO]- 333.14559 173.3
[M+Na-2H]- 295.10641 164.5
[M]+ 274.13119 160.8
[M]- 274.13229 160.8
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.