CID 3049292

2-(diethylaminomethyl)-5-(4-chlorophenyl)oxazole hydrochloride hemihydrate

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CCN(CC)CC1=NC=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN2O/c1-3-17(4-2)10-14-16-9-13(18-14)11-5-7-12(15)8-6-11/h5-9H,3-4,10H2,1-2H3
InChIKey
PZMCPMPCQYYQHS-UHFFFAOYSA-N
Compound name
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.10294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 161.8
[M+Na]+ 287.09216 170.3
[M-H]- 263.09566 169.1
[M+NH4]+ 282.13676 178.9
[M+K]+ 303.06610 167.2
[M+H-H2O]+ 247.10020 154.1
[M+HCOO]- 309.10114 181.7
[M+CH3COO]- 323.11679 200.8
[M+Na-2H]- 285.07761 165.5
[M]+ 264.10239 167.5
[M]- 264.10349 167.5
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