CID 6034178

N-((e)-2-[5-(3,4-dichlorophenyl)-2-furyl]-1-{[(2-methoxyethyl)amino]carbonyl}ethenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C24H22Cl2N2O4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NCCOC
InChI
InChI=1S/C24H22Cl2N2O4/c1-15-3-5-16(6-4-15)23(29)28-21(24(30)27-11-12-31-2)14-18-8-10-22(32-18)17-7-9-19(25)20(26)13-17/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,28,29)/b21-14+
InChIKey
HRVYKOJWTDMQFJ-KGENOOAVSA-N
Compound name
N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.09567 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.10295 216.0
[M+Na]+ 495.08489 222.2
[M-H]- 471.08839 225.8
[M+NH4]+ 490.12949 225.1
[M+K]+ 511.05883 216.4
[M+H-H2O]+ 455.09293 208.1
[M+HCOO]- 517.09387 228.9
[M+CH3COO]- 531.10952 236.4
[M+Na-2H]- 493.07034 212.7
[M]+ 472.09512 223.1
[M]- 472.09622 223.1
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.