CID 2822474

Oprea1_608895

Structural Information

Molecular Formula
C18H17N3O2
SMILES
C1COCCN1C(=O)NC2=CN=CC(=C2)C#CC3=CC=CC=C3
InChI
InChI=1S/C18H17N3O2/c22-18(21-8-10-23-11-9-21)20-17-12-16(13-19-14-17)7-6-15-4-2-1-3-5-15/h1-5,12-14H,8-11H2,(H,20,22)
InChIKey
YEMQENHBJPTXQC-UHFFFAOYSA-N
Compound name
N-[5-(2-phenylethynyl)-3-pyridinyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 173.3
[M+Na]+ 330.121298 179.7
[M-H]- 306.124804 175.9
[M+NH4]+ 325.165903 180.9
[M+K]+ 346.095238 173.2
[M+H-H2O]+ 290.129340 156.0
[M+HCOO]- 352.130281 184.6
[M+CH3COO]- 366.145931 180.2
[M+Na-2H]- 328.106746 176.2
[M]+ 307.13153142 162.9
[M]- 307.13262858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.