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

3
Patents

246.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.7
[M+Na]+ 269.126048 164.4
[M-H]- 245.129554 164.4
[M+NH4]+ 264.170653 173.7
[M+K]+ 285.099988 163.8
[M+H-H2O]+ 229.134090 148.5
[M+HCOO]- 291.135031 181.6
[M+CH3COO]- 305.150681 199.1
[M+Na-2H]- 267.111496 161.2
[M]+ 246.13628142 161.8
[M]- 246.13737858 161.8
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

patents stripe