CID 45925011

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

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=CC(=CC=C1)C2CCCN2C(=O)C3=NOC(=C3)C(C)C
InChI
InChI=1S/C18H22N2O2/c1-12(2)17-11-15(19-22-17)18(21)20-9-5-8-16(20)14-7-4-6-13(3)10-14/h4,6-7,10-12,16H,5,8-9H2,1-3H3
InChIKey
YFNCLOHAGVKZIM-UHFFFAOYSA-N
Compound name
[2-(3-methylphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 171.2
[M+Na]+ 321.15734 182.9
[M+NH4]+ 316.20194 178.3
[M+K]+ 337.13128 181.1
[M-H]- 297.16084 176.0
[M+Na-2H]- 319.14279 176.8
[M]+ 298.16757 174.1
[M]- 298.16867 174.1
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.

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No patent data available for this compound.