CID 216898

37852-63-4

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CCN(C1)CC(=O)NC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O2/c19-14(11-18-8-4-5-9-18)16-15-10-13(17-20-15)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,16,19)
InChIKey
XRKUCEBDBLVTEB-UHFFFAOYSA-N
Compound name
N-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 161.1
[M+Na]+ 294.121298 166.2
[M-H]- 270.124804 168.6
[M+NH4]+ 289.165903 175.7
[M+K]+ 310.095238 164.1
[M+H-H2O]+ 254.129340 151.9
[M+HCOO]- 316.130281 182.3
[M+CH3COO]- 330.145931 172.3
[M+Na-2H]- 292.106746 162.8
[M]+ 271.13153142 159.5
[M]- 271.13262858 159.5
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.