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 160.1
[M+Na]+ 287.09216 174.2
[M+NH4]+ 282.13676 168.9
[M+K]+ 303.06610 168.1
[M-H]- 263.09566 165.8
[M+Na-2H]- 285.07761 167.9
[M]+ 264.10239 164.1
[M]- 264.10349 164.1
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