CID 899222

618400-09-2

Structural Information

Molecular Formula
C19H16ClNO2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H16ClNO2/c1-12-7-8-13(2)16(11-12)21-19(22)18-10-9-17(23-18)14-5-3-4-6-15(14)20/h3-11H,1-2H3,(H,21,22)
InChIKey
FPEKTJCNGNXAKO-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-(2,5-dimethylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08694 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.094216 177.6
[M+Na]+ 348.076158 187.0
[M-H]- 324.079664 188.8
[M+NH4]+ 343.120763 192.9
[M+K]+ 364.050098 181.7
[M+H-H2O]+ 308.084200 170.2
[M+HCOO]- 370.085141 197.4
[M+CH3COO]- 384.100791 190.0
[M+Na-2H]- 346.061606 179.1
[M]+ 325.08639142 181.9
[M]- 325.08748858 181.9
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.