CID 46266435

3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-5-propyl-1,2-oxazole

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCCC1=CC(=NO1)C(=O)N2CCCC2C3=CC=CC=C3C
InChI
InChI=1S/C18H22N2O2/c1-3-7-14-12-16(19-22-14)18(21)20-11-6-10-17(20)15-9-5-4-8-13(15)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKey
QWMVHZJJJDJBDO-UHFFFAOYSA-N
Compound name
[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.8
[M+Na]+ 321.15734 183.8
[M+NH4]+ 316.20194 179.0
[M+K]+ 337.13128 181.2
[M-H]- 297.16084 176.7
[M+Na-2H]- 319.14279 177.6
[M]+ 298.16757 174.8
[M]- 298.16867 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.