CID 24212541

853312-03-5

Structural Information

Molecular Formula
C23H24ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H24ClNO2/c1-2-3-4-17-5-11-20(12-6-17)25-23(26)16-14-21-13-15-22(27-21)18-7-9-19(24)10-8-18/h5-13,15H,2-4,14,16H2,1H3,(H,25,26)
InChIKey
RTBBSAAMRBIZBC-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3-[5-(4-chlorophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14957 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15685 196.2
[M+Na]+ 404.13879 202.9
[M-H]- 380.14229 206.2
[M+NH4]+ 399.18339 208.9
[M+K]+ 420.11273 196.7
[M+H-H2O]+ 364.14683 187.7
[M+HCOO]- 426.14777 214.7
[M+CH3COO]- 440.16342 220.0
[M+Na-2H]- 402.12424 196.2
[M]+ 381.14902 201.4
[M]- 381.15012 201.4
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.