CID 16649009

853311-53-2

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H20ClNO3/c1-2-25-18-9-7-17(8-10-18)23-21(24)14-12-19-11-13-20(26-19)15-3-5-16(22)6-4-15/h3-11,13H,2,12,14H2,1H3,(H,23,24)
InChIKey
YTSAAIWWGNKWQF-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-(4-ethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.11316 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 189.6
[M+Na]+ 392.10238 197.0
[M-H]- 368.10588 200.0
[M+NH4]+ 387.14698 202.7
[M+K]+ 408.07632 192.0
[M+H-H2O]+ 352.11042 181.4
[M+HCOO]- 414.11136 209.0
[M+CH3COO]- 428.12701 216.2
[M+Na-2H]- 390.08783 190.8
[M]+ 369.11261 195.6
[M]- 369.11371 195.6
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.