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 159.9
[M+Na]+ 293.02187 170.2
[M-H]- 269.02537 165.4
[M+NH4]+ 288.06647 176.7
[M+K]+ 308.99581 164.9
[M+H-H2O]+ 253.02991 153.3
[M+HCOO]- 315.03085 174.5
[M+CH3COO]- 329.04650 197.0
[M+Na-2H]- 291.00732 163.7
[M]+ 270.03210 164.9
[M]- 270.03320 164.9
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