CID 5397858

Brn 0440119

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c24-19(17-9-3-1-4-10-17)22-18(14-16-8-7-11-21-15-16)20(25)23-12-5-2-6-13-23/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,22,24)/b18-14+
InChIKey
XXBMQFBCLSDKGN-NBVRZTHBSA-N
Compound name
N-[(E)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.2
[M+Na]+ 358.15262 181.4
[M-H]- 334.15612 185.2
[M+NH4]+ 353.19722 188.9
[M+K]+ 374.12656 176.5
[M+H-H2O]+ 318.16066 168.8
[M+HCOO]- 380.16160 195.8
[M+CH3COO]- 394.17725 209.6
[M+Na-2H]- 356.13807 181.9
[M]+ 335.16285 173.2
[M]- 335.16395 173.2
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.