CID 3049280

2-ethylaminomethyl-5-(2-chlorophenyl)oxazole

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
CCNCC1=NC=C(O1)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H13ClN2O/c1-2-14-8-12-15-7-11(16-12)9-5-3-4-6-10(9)13/h3-7,14H,2,8H2,1H3
InChIKey
KRKWHPYSWPRTLL-UHFFFAOYSA-N
Compound name
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.07164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 152.1
[M+Na]+ 259.06086 161.3
[M-H]- 235.06436 158.3
[M+NH4]+ 254.10546 169.8
[M+K]+ 275.03480 157.4
[M+H-H2O]+ 219.06890 145.0
[M+HCOO]- 281.06984 172.2
[M+CH3COO]- 295.08549 191.4
[M+Na-2H]- 257.04631 157.7
[M]+ 236.07109 155.8
[M]- 236.07219 155.8
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