CID 1100504

4-nitro-n-[(1e)-3-oxo-1-phenyl-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

Structural Information

Molecular Formula
C21H21N3O4
SMILES
C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H21N3O4/c25-20(17-9-11-18(12-10-17)24(27)28)22-19(15-16-7-3-1-4-8-16)21(26)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,25)/b19-15+
InChIKey
DEPZODZJENEUMX-XDJHFCHBSA-N
Compound name
4-nitro-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1532 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 188.0
[M+Na]+ 402.14242 187.4
[M-H]- 378.14592 194.3
[M+NH4]+ 397.18702 195.2
[M+K]+ 418.11636 179.3
[M+H-H2O]+ 362.15046 181.6
[M+HCOO]- 424.15140 205.5
[M+CH3COO]- 438.16705 212.0
[M+Na-2H]- 400.12787 190.0
[M]+ 379.15265 179.9
[M]- 379.15375 179.9
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.