CID 5872320

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

Structural Information

Molecular Formula
C26H24Cl2N2O4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NCC4CCCO4
InChI
InChI=1S/C26H24Cl2N2O4/c1-16-4-6-17(7-5-16)25(31)30-23(26(32)29-15-20-3-2-12-33-20)14-19-9-11-24(34-19)18-8-10-21(27)22(28)13-18/h4-11,13-14,20H,2-3,12,15H2,1H3,(H,29,32)(H,30,31)/b23-14+
InChIKey
HQGNUJOYILFBGE-OEAKJJBVSA-N
Compound name
N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1113 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.11858 226.6
[M+Na]+ 521.10052 230.9
[M-H]- 497.10402 239.6
[M+NH4]+ 516.14512 234.4
[M+K]+ 537.07446 226.0
[M+H-H2O]+ 481.10856 219.0
[M+HCOO]- 543.10950 236.8
[M+CH3COO]- 557.12515 239.3
[M+Na-2H]- 519.08597 220.3
[M]+ 498.11075 230.6
[M]- 498.11185 230.6
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.