CID 7275198

853314-76-8

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H16ClNO3/c1-12-7-8-17(23-2)15(11-12)21-19(22)18-10-9-16(24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,21,22)
InChIKey
FFGAVXDBOWIWAV-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08188 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 180.4
[M+Na]+ 364.07110 189.6
[M-H]- 340.07460 191.6
[M+NH4]+ 359.11570 195.0
[M+K]+ 380.04504 185.1
[M+H-H2O]+ 324.07914 172.8
[M+HCOO]- 386.08008 200.4
[M+CH3COO]- 400.09573 211.6
[M+Na-2H]- 362.05655 182.0
[M]+ 341.08133 186.1
[M]- 341.08243 186.1
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.