CID 3002816

Chembl91663

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
C1COCCN1C(=O)/C(=C(/C2=CC=CC=C2)\Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H19ClN2O3/c21-17(15-7-3-1-4-8-15)18(20(25)23-11-13-26-14-12-23)22-19(24)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,24)/b18-17+
InChIKey
XONUAPNUZKJBKA-ISLYRVAYSA-N
Compound name
N-[(E)-1-chloro-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.10843 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 186.4
[M+Na]+ 393.09765 188.2
[M-H]- 369.10115 193.4
[M+NH4]+ 388.14225 194.6
[M+K]+ 409.07159 184.2
[M+H-H2O]+ 353.10569 176.6
[M+HCOO]- 415.10663 197.2
[M+CH3COO]- 429.12228 213.8
[M+Na-2H]- 391.08310 186.9
[M]+ 370.10788 183.0
[M]- 370.10898 183.0
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.