CID 6026023

307974-03-4

Structural Information

Molecular Formula
C24H22Cl2N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NC(C)C
InChI
InChI=1S/C24H22Cl2N2O3/c1-14(2)27-24(30)21(28-23(29)16-6-4-15(3)5-7-16)13-18-9-11-22(31-18)17-8-10-19(25)20(26)12-17/h4-14H,1-3H3,(H,27,30)(H,28,29)/b21-13+
InChIKey
RAIAPHLCZGMPFE-FYJGNVAPSA-N
Compound name
N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.10074 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10802 213.4
[M+Na]+ 479.08996 219.5
[M-H]- 455.09346 223.3
[M+NH4]+ 474.13456 223.2
[M+K]+ 495.06390 213.5
[M+H-H2O]+ 439.09800 205.9
[M+HCOO]- 501.09894 225.2
[M+CH3COO]- 515.11459 235.2
[M+Na-2H]- 477.07541 208.8
[M]+ 456.10019 218.7
[M]- 456.10129 218.7
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.