CID 33053804

N-((z)-2-[5-(2,5-dichlorophenyl)-2-furyl]-1-{[(4-pyridinylmethyl)amino]carbonyl}ethenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C27H21Cl2N3O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)/C(=O)NCC4=CC=NC=C4
InChI
InChI=1S/C27H21Cl2N3O3/c1-17-2-4-19(5-3-17)26(33)32-24(27(34)31-16-18-10-12-30-13-11-18)15-21-7-9-25(35-21)22-14-20(28)6-8-23(22)29/h2-15H,16H2,1H3,(H,31,34)(H,32,33)/b24-15-
InChIKey
LOPFVCHGGHJNCC-IWIPYMOSSA-N
Compound name
N-[(Z)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.096 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.10328 223.6
[M+Na]+ 528.08522 229.6
[M-H]- 504.08872 234.9
[M+NH4]+ 523.12982 229.3
[M+K]+ 544.05916 222.6
[M+H-H2O]+ 488.09326 213.2
[M+HCOO]- 550.09420 235.0
[M+CH3COO]- 564.10985 230.8
[M+Na-2H]- 526.07067 220.9
[M]+ 505.09545 228.5
[M]- 505.09655 228.5
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.