CID 16651460

Akos003081073

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CCCCNC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C16H18ClNO2/c1-3-4-9-18-16(19)14-10-15(20-11(14)2)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKey
CLUBGWFVWXNLHE-UHFFFAOYSA-N
Compound name
N-butyl-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 167.9
[M+Na]+ 314.09182 181.2
[M+NH4]+ 309.13642 176.0
[M+K]+ 330.06576 175.4
[M-H]- 290.09532 173.2
[M+Na-2H]- 312.07727 174.3
[M]+ 291.10205 171.6
[M]- 291.10315 171.6
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.