CID 16514

2148-73-4

Structural Information

Molecular Formula
C17H22N2O2
SMILES
COC1=CC=C(C=C1)C2=NOC(=C2)CCN3CCCCC3
InChI
InChI=1S/C17H22N2O2/c1-20-15-7-5-14(6-8-15)17-13-16(21-18-17)9-12-19-10-3-2-4-11-19/h5-8,13H,2-4,9-12H2,1H3
InChIKey
KJFQLTDOPBVTHM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-(2-piperidin-1-ylethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 167.9
[M+Na]+ 309.15734 173.2
[M-H]- 285.16084 174.6
[M+NH4]+ 304.20194 180.7
[M+K]+ 325.13128 170.4
[M+H-H2O]+ 269.16538 157.9
[M+HCOO]- 331.16632 185.9
[M+CH3COO]- 345.18197 178.4
[M+Na-2H]- 307.14279 170.0
[M]+ 286.16757 167.0
[M]- 286.16867 167.0
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