CID 22454

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

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CN(C)CCC1=CC(=NO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H15ClN2O/c1-16(2)8-7-12-9-13(15-17-12)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKey
MQPDMTADULARCE-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.0873 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 157.0
[M+Na]+ 273.07652 166.0
[M-H]- 249.08002 164.5
[M+NH4]+ 268.12112 174.8
[M+K]+ 289.05046 163.2
[M+H-H2O]+ 233.08456 149.5
[M+HCOO]- 295.08550 177.3
[M+CH3COO]- 309.10115 197.8
[M+Na-2H]- 271.06197 161.3
[M]+ 250.08675 162.4
[M]- 250.08785 162.4
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