CID 21936809

3-(4-morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1h)-pyridinone

Structural Information

Molecular Formula
C15H17N3O4
SMILES
C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
InChIKey
LBFAEOWNWSDWRZ-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

303.12192 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 169.3
[M+Na]+ 326.11114 172.6
[M-H]- 302.11464 175.9
[M+NH4]+ 321.15574 178.2
[M+K]+ 342.08508 166.2
[M+H-H2O]+ 286.11918 163.0
[M+HCOO]- 348.12012 185.4
[M+CH3COO]- 362.13577 196.7
[M+Na-2H]- 324.09659 174.5
[M]+ 303.12137 162.4
[M]- 303.12247 162.4
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

patents stripe