CID 16518

3-(p-methoxyphenyl)-5-(2-(dimethylamino)ethyl)-isoxazole hydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CN(C)CCC1=CC(=NO1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H18N2O2/c1-16(2)9-8-13-10-14(15-18-13)11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKey
UCVKEFXOTIEFHQ-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.6
[M+Na]+ 269.12605 169.4
[M+NH4]+ 264.17065 164.6
[M+K]+ 285.09999 164.9
[M-H]- 245.12955 161.9
[M+Na-2H]- 267.11150 164.0
[M]+ 246.13628 159.9
[M]- 246.13738 159.9
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

patents stripe