CID 1987961

N-(1-(furan-2-yl)-3-oxo-3-((pyridin-3-ylmethyl)amino)prop-1-en-2-yl)benzamide

Structural Information

Molecular Formula
C20H17N3O3
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3=CN=CC=C3
InChI
InChI=1S/C20H17N3O3/c24-19(16-7-2-1-3-8-16)23-18(12-17-9-5-11-26-17)20(25)22-14-15-6-4-10-21-13-15/h1-13H,14H2,(H,22,25)(H,23,24)/b18-12+
InChIKey
ANTQNDKESCDJPE-LDADJPATSA-N
Compound name
N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

347.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 183.4
[M+Na]+ 370.11620 194.2
[M+NH4]+ 365.16080 188.9
[M+K]+ 386.09014 190.1
[M-H]- 346.11970 189.2
[M+Na-2H]- 368.10165 191.4
[M]+ 347.12643 186.2
[M]- 347.12753 186.2
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

patents stripe