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]+ 299.175396 171.9
[M+Na]+ 321.157338 178.3
[M-H]- 297.160844 180.0
[M+NH4]+ 316.201943 186.5
[M+K]+ 337.131278 176.0
[M+H-H2O]+ 281.165380 163.6
[M+HCOO]- 343.166321 190.1
[M+CH3COO]- 357.181971 203.7
[M+Na-2H]- 319.142786 168.9
[M]+ 298.16757142 172.3
[M]- 298.16866858 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.