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]+ 356.10481 185.0
[M+Na]+ 378.08675 194.7
[M-H]- 354.09025 196.5
[M+NH4]+ 373.13135 199.4
[M+K]+ 394.06069 190.0
[M+H-H2O]+ 338.09479 177.5
[M+HCOO]- 400.09573 204.8
[M+CH3COO]- 414.11138 215.8
[M+Na-2H]- 376.07220 185.4
[M]+ 355.09698 191.6
[M]- 355.09808 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.