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 171.9
[M+Na]+ 321.15734 178.3
[M-H]- 297.16084 180.0
[M+NH4]+ 316.20194 186.5
[M+K]+ 337.13128 176.0
[M+H-H2O]+ 281.16538 163.6
[M+HCOO]- 343.16632 190.1
[M+CH3COO]- 357.18197 203.7
[M+Na-2H]- 319.14279 168.9
[M]+ 298.16757 172.3
[M]- 298.16867 172.3
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

No patent data available for this compound.