CID 4494062

N-(4-butylphenyl)-5-(2-chlorophenyl)-2-furamide

Structural Information

Molecular Formula
C21H20ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H20ClNO2/c1-2-3-6-15-9-11-16(12-10-15)23-21(24)20-14-13-19(25-20)17-7-4-5-8-18(17)22/h4-5,7-14H,2-3,6H2,1H3,(H,23,24)
InChIKey
UUCWVOAWVAJLEA-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-5-(2-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11826 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12554 187.0
[M+Na]+ 376.10748 194.5
[M-H]- 352.11098 197.3
[M+NH4]+ 371.15208 200.8
[M+K]+ 392.08142 188.8
[M+H-H2O]+ 336.11552 178.9
[M+HCOO]- 398.11646 206.1
[M+CH3COO]- 412.13211 214.1
[M+Na-2H]- 374.09293 188.0
[M]+ 353.11771 191.5
[M]- 353.11881 191.5
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.