CID 26834

3-phenyl-5-(1-morpholinoethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C1=CC(=NO1)C2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C15H18N2O2/c1-12(17-7-9-18-10-8-17)15-11-14(16-19-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKey
SHLQZQCRNKLYTB-UHFFFAOYSA-N
Compound name
4-[1-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.4
[M+Na]+ 281.12606 164.6
[M-H]- 257.12956 166.9
[M+NH4]+ 276.17066 171.7
[M+K]+ 297.10000 163.7
[M+H-H2O]+ 241.13410 150.1
[M+HCOO]- 303.13504 176.1
[M+CH3COO]- 317.15069 170.4
[M+Na-2H]- 279.11151 162.7
[M]+ 258.13629 157.5
[M]- 258.13739 157.5
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.