CID 24212562

853312-63-7

Structural Information

Molecular Formula
C20H18ClNO2
SMILES
CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H18ClNO2/c1-14-4-2-7-17(12-14)22-20(23)11-9-18-8-10-19(24-18)15-5-3-6-16(21)13-15/h2-8,10,12-13H,9,11H2,1H3,(H,22,23)
InChIKey
ORQJUHCYSDLEBR-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-(3-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1026 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10988 182.3
[M+Na]+ 362.09182 190.3
[M-H]- 338.09532 192.8
[M+NH4]+ 357.13642 196.7
[M+K]+ 378.06576 184.8
[M+H-H2O]+ 322.09986 174.4
[M+HCOO]- 384.10080 201.8
[M+CH3COO]- 398.11645 211.2
[M+Na-2H]- 360.07727 183.9
[M]+ 339.10205 186.5
[M]- 339.10315 186.5
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.