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]+ 272.13936 161.1
[M+Na]+ 294.12130 166.2
[M-H]- 270.12480 168.6
[M+NH4]+ 289.16590 175.7
[M+K]+ 310.09524 164.1
[M+H-H2O]+ 254.12934 151.9
[M+HCOO]- 316.13028 182.3
[M+CH3COO]- 330.14593 172.3
[M+Na-2H]- 292.10675 162.8
[M]+ 271.13153 159.5
[M]- 271.13263 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.