CID 6447506

4-(2-methyl-3-(4-nitrophenyl)-1-oxo-2-propenyl)morpholine

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)N2CCOCC2
InChI
InChI=1S/C14H16N2O4/c1-11(14(17)15-6-8-20-9-7-15)10-12-2-4-13(5-3-12)16(18)19/h2-5,10H,6-9H2,1H3/b11-10+
InChIKey
RGBADNJMTLVFCE-ZHACJKMWSA-N
Compound name
(E)-2-methyl-1-morpholin-4-yl-3-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.8
[M+Na]+ 299.10022 165.8
[M-H]- 275.10372 167.7
[M+NH4]+ 294.14482 174.5
[M+K]+ 315.07416 160.5
[M+H-H2O]+ 259.10826 158.9
[M+HCOO]- 321.10920 180.6
[M+CH3COO]- 335.12485 190.9
[M+Na-2H]- 297.08567 167.1
[M]+ 276.11045 157.9
[M]- 276.11155 157.9
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.