CID 24212777

853330-64-0

Structural Information

Molecular Formula
C23H24BrNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H24BrNO2/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
MDABGBGCNRLAST-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(4-butylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.09903 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10631 201.4
[M+Na]+ 448.08825 209.6
[M-H]- 424.09175 213.4
[M+NH4]+ 443.13285 215.2
[M+K]+ 464.06219 197.6
[M+H-H2O]+ 408.09629 198.6
[M+HCOO]- 470.09723 221.7
[M+CH3COO]- 484.11288 223.9
[M+Na-2H]- 446.07370 202.5
[M]+ 425.09848 222.4
[M]- 425.09958 222.4
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.