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]+ 348.134256 182.4
[M+Na]+ 370.116198 185.6
[M-H]- 346.119704 190.9
[M+NH4]+ 365.160803 192.5
[M+K]+ 386.090138 182.3
[M+H-H2O]+ 330.124240 172.2
[M+HCOO]- 392.125181 204.8
[M+CH3COO]- 406.140831 213.0
[M+Na-2H]- 368.101646 185.4
[M]+ 347.12643142 181.4
[M]- 347.12752858 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