CID 45051441

853333-70-7

Structural Information

Molecular Formula
C24H18ClNO4
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)Cl
InChI
InChI=1S/C24H18ClNO4/c1-28-22-12-7-16(15-20(22)25)21-13-14-23(30-21)24(27)26-17-8-10-19(11-9-17)29-18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)
InChIKey
RUQFVBCMGQZBGP-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)-N-(4-phenoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.09244 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09972 200.5
[M+Na]+ 442.08166 208.4
[M-H]- 418.08516 214.4
[M+NH4]+ 437.12626 211.0
[M+K]+ 458.05560 203.6
[M+H-H2O]+ 402.08970 190.9
[M+HCOO]- 464.09064 220.1
[M+CH3COO]- 478.10629 211.1
[M+Na-2H]- 440.06711 201.6
[M]+ 419.09189 206.7
[M]- 419.09299 206.7
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.