CID 24212537

853311-93-0

Structural Information

Molecular Formula
C23H24ClNO2
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H24ClNO2/c1-3-16-6-5-7-17(4-2)23(16)25-22(26)15-13-20-12-14-21(27-20)18-8-10-19(24)11-9-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,26)
InChIKey
BZVOSRBVPDVCLK-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,6-diethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14957 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15685 196.3
[M+Na]+ 404.13879 203.9
[M-H]- 380.14229 206.7
[M+NH4]+ 399.18339 209.3
[M+K]+ 420.11273 197.8
[M+H-H2O]+ 364.14683 188.1
[M+HCOO]- 426.14777 214.8
[M+CH3COO]- 440.16342 221.2
[M+Na-2H]- 402.12424 195.6
[M]+ 381.14902 202.0
[M]- 381.15012 202.0
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.