CID 24212842

853333-10-5

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl)C
InChI
InChI=1S/C20H18ClNO3/c1-12-4-6-16(13(2)10-12)22-20(23)19-9-8-17(25-19)14-5-7-18(24-3)15(21)11-14/h4-11H,1-3H3,(H,22,23)
InChIKey
STVFIKFWTUKSEO-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09753 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.104806 185.0
[M+Na]+ 378.086748 194.7
[M-H]- 354.090254 196.5
[M+NH4]+ 373.131353 199.4
[M+K]+ 394.060688 190.0
[M+H-H2O]+ 338.094790 177.5
[M+HCOO]- 400.095731 204.8
[M+CH3COO]- 414.111381 215.8
[M+Na-2H]- 376.072196 185.4
[M]+ 355.09698142 191.6
[M]- 355.09807858 191.6
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.