CID 45051057

853348-48-8

Structural Information

Molecular Formula
C23H22ClNO2
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H22ClNO2/c1-3-16-8-7-9-17(4-2)23(16)25-22(26)15-13-18-12-14-21(27-18)19-10-5-6-11-20(19)24/h5-15H,3-4H2,1-2H3,(H,25,26)/b15-13+
InChIKey
WRGFYOXKRATEGB-FYWRMAATSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2,6-diethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1339 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14118 195.8
[M+Na]+ 402.12312 203.8
[M-H]- 378.12662 206.3
[M+NH4]+ 397.16772 208.9
[M+K]+ 418.09706 197.0
[M+H-H2O]+ 362.13116 187.6
[M+HCOO]- 424.13210 214.4
[M+CH3COO]- 438.14775 219.9
[M+Na-2H]- 400.10857 195.0
[M]+ 379.13335 200.7
[M]- 379.13445 200.7
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.