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 178.5
[M-H]- 297.16084 179.8
[M+NH4]+ 316.20194 186.5
[M+K]+ 337.13128 175.7
[M+H-H2O]+ 281.16538 163.3
[M+HCOO]- 343.16632 191.1
[M+CH3COO]- 357.18197 202.8
[M+Na-2H]- 319.14279 169.9
[M]+ 298.16757 172.8
[M]- 298.16867 172.8
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.