CID 3070619

86683-95-6

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC(CC(=O)NC1=CC(=NO1)C2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C17H21N3O3/c1-13(20-7-9-22-10-8-20)11-16(21)18-17-12-15(19-23-17)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,18,21)
InChIKey
ILTNIBUQUICJQM-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-N-(3-phenyl-1,2-oxazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 175.0
[M+Na]+ 338.14752 185.8
[M+NH4]+ 333.19212 181.2
[M+K]+ 354.12146 182.8
[M-H]- 314.15102 181.4
[M+Na-2H]- 336.13297 180.8
[M]+ 315.15775 178.1
[M]- 315.15885 178.1
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.

Patent stripe

No patent data available for this compound.