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 222.8
[M+Na]+ 528.08522 237.8
[M+NH4]+ 523.12982 228.7
[M+K]+ 544.05916 230.4
[M-H]- 504.08872 231.3
[M+Na-2H]- 526.07067 231.6
[M]+ 505.09545 227.9
[M]- 505.09655 227.9
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.