CID 1987961

324562-01-8

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

0
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 182.4
[M+Na]+ 370.11620 185.6
[M-H]- 346.11970 190.9
[M+NH4]+ 365.16080 192.5
[M+K]+ 386.09014 182.3
[M+H-H2O]+ 330.12424 172.2
[M+HCOO]- 392.12518 204.8
[M+CH3COO]- 406.14083 213.0
[M+Na-2H]- 368.10165 185.4
[M]+ 347.12643 181.4
[M]- 347.12753 181.4
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