CID 3049284

2-oxazolemethanamine, 5-(3,4-dichlorophenyl)-n-ethyl-, monohydrochloride

Structural Information

Molecular Formula
C12H12Cl2N2O
SMILES
CCNCC1=NC=C(O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O/c1-2-15-7-12-16-6-11(17-12)8-3-4-9(13)10(14)5-8/h3-6,15H,2,7H2,1H3
InChIKey
ZABLOZMTNPTQHS-UHFFFAOYSA-N
Compound name
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.03265 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03993 157.8
[M+Na]+ 293.02187 172.9
[M+NH4]+ 288.06647 166.7
[M+K]+ 308.99581 166.3
[M-H]- 269.02537 163.1
[M+Na-2H]- 291.00732 165.5
[M]+ 270.03210 162.1
[M]- 270.03320 162.1
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