CID 4493565

618399-97-6

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H14ClNO3/c1-22-13-8-6-12(7-9-13)20-18(21)17-11-10-16(23-17)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,21)
InChIKey
SSWSMOFPKKPGBV-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

327.06622 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 175.6
[M+Na]+ 350.05544 184.3
[M-H]- 326.05894 186.6
[M+NH4]+ 345.10004 190.5
[M+K]+ 366.02938 180.0
[M+H-H2O]+ 310.06348 168.0
[M+HCOO]- 372.06442 196.0
[M+CH3COO]- 386.08007 207.4
[M+Na-2H]- 348.04089 178.5
[M]+ 327.06567 180.6
[M]- 327.06677 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.