CID 1987965

324562-04-1

Structural Information

Molecular Formula
C21H19N3O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3=CN=CC=C3
InChI
InChI=1S/C21H19N3O3/c1-15-6-8-17(9-7-15)20(25)24-19(12-18-5-3-11-27-18)21(26)23-14-16-4-2-10-22-13-16/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b19-12+
InChIKey
DREYRWDAGXDFEW-XDHOZWIPSA-N
Compound name
N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.149916 187.6
[M+Na]+ 384.131858 191.2
[M-H]- 360.135364 196.3
[M+NH4]+ 379.176463 197.4
[M+K]+ 400.105798 187.8
[M+H-H2O]+ 344.139900 177.4
[M+HCOO]- 406.140841 209.7
[M+CH3COO]- 420.156491 217.2
[M+Na-2H]- 382.117306 189.2
[M]+ 361.14209142 187.4
[M]- 361.14318858 187.4
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

No patent data available for this compound.