CID 3049288

2-oxazolemethanamine, 5-(3-chlorophenyl)-n-propyl-, monohydrochloride

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CCCNCC1=NC=C(O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H15ClN2O/c1-2-6-15-9-13-16-8-12(17-13)10-4-3-5-11(14)7-10/h3-5,7-8,15H,2,6,9H2,1H3
InChIKey
YTKRKHFNIIOBSE-UHFFFAOYSA-N
Compound name
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.0873 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 155.9
[M+Na]+ 273.07652 170.0
[M+NH4]+ 268.12112 164.6
[M+K]+ 289.05046 163.7
[M-H]- 249.08002 161.3
[M+Na-2H]- 271.06197 163.8
[M]+ 250.08675 159.8
[M]- 250.08785 159.8
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