CID 24212851

853333-57-0

Structural Information

Molecular Formula
C20H17Cl2NO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C20H17Cl2NO3/c1-25-18-7-6-13(12-16(18)22)10-11-23-20(24)19-9-8-17(26-19)14-4-2-3-5-15(14)21/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKey
FEJRGJGDFROYCG-UHFFFAOYSA-N
Compound name
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(2-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.05856 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06584 192.3
[M+Na]+ 412.04778 201.3
[M-H]- 388.05128 202.4
[M+NH4]+ 407.09238 205.3
[M+K]+ 428.02172 195.4
[M+H-H2O]+ 372.05582 184.9
[M+HCOO]- 434.05676 206.7
[M+CH3COO]- 448.07241 218.5
[M+Na-2H]- 410.03323 192.4
[M]+ 389.05801 199.7
[M]- 389.05911 199.7
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.