CID 22587430

853312-07-9

Structural Information

Molecular Formula
C20H18ClNO2
SMILES
C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H18ClNO2/c21-17-8-6-16(7-9-17)19-12-10-18(24-19)11-13-20(23)22-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,23)
InChIKey
UHNBLWIMVJUHTO-UHFFFAOYSA-N
Compound name
N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1026 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10988 182.1
[M+Na]+ 362.09182 189.2
[M-H]- 338.09532 192.2
[M+NH4]+ 357.13642 196.2
[M+K]+ 378.06576 183.6
[M+H-H2O]+ 322.09986 174.0
[M+HCOO]- 384.10080 201.6
[M+CH3COO]- 398.11645 193.3
[M+Na-2H]- 360.07727 184.4
[M]+ 339.10205 185.9
[M]- 339.10315 185.9
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.