CID 23456

3-phenyl-5-(1-hydroxy-3-dimethylaminopropyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CN(C)CCC(C1=CC(=NO1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H18N2O2/c1-16(2)9-8-13(17)14-10-12(15-18-14)11-6-4-3-5-7-11/h3-7,10,13,17H,8-9H2,1-2H3
InChIKey
KWJLXLLJFQTXHJ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.4
[M+Na]+ 269.12605 168.9
[M+NH4]+ 264.17065 164.8
[M+K]+ 285.09999 165.3
[M-H]- 245.12955 161.8
[M+Na-2H]- 267.11150 164.0
[M]+ 246.13628 160.1
[M]- 246.13738 160.1
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.