CID 5907494

324562-03-0

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCCN3C=CN=C3
InChI
InChI=1S/C21H22N4O3/c1-16-5-7-17(8-6-16)20(26)24-19(14-18-4-2-13-28-18)21(27)23-9-3-11-25-12-10-22-15-25/h2,4-8,10,12-15H,3,9,11H2,1H3,(H,23,27)(H,24,26)/b19-14+
InChIKey
SVGBTGFFBPAPJY-XMHGGMMESA-N
Compound name
N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

378.1692 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 191.1
[M+Na]+ 401.15842 200.6
[M+NH4]+ 396.20302 195.4
[M+K]+ 417.13236 199.2
[M-H]- 377.16192 195.5
[M+Na-2H]- 399.14387 197.4
[M]+ 378.16865 193.2
[M]- 378.16975 193.2
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.