CID 26830

3-phenyl-5-(1-(dimethylamino)ethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC(C1=CC(=NO1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H16N2O/c1-10(15(2)3)13-9-12(14-16-13)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey
CRRDAMTVJKZOCP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.4
[M+Na]+ 239.11549 156.4
[M-H]- 215.11899 157.1
[M+NH4]+ 234.16009 167.4
[M+K]+ 255.08943 156.1
[M+H-H2O]+ 199.12353 141.5
[M+HCOO]- 261.12447 173.5
[M+CH3COO]- 275.14012 193.8
[M+Na-2H]- 237.10094 154.0
[M]+ 216.12572 151.8
[M]- 216.12682 151.8
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.