CID 24212775

853330-58-2

Structural Information

Molecular Formula
C19H15BrClNO2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H15BrClNO2/c20-14-6-4-13(5-7-14)18-10-8-17(24-18)9-11-19(23)22-16-3-1-2-15(21)12-16/h1-8,10,12H,9,11H2,(H,22,23)
InChIKey
OBPVQWICCYZSHM-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(3-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.99747 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.00475 189.9
[M+Na]+ 425.98669 200.9
[M-H]- 401.99019 202.4
[M+NH4]+ 421.03129 205.6
[M+K]+ 441.96063 187.9
[M+H-H2O]+ 385.99473 188.4
[M+HCOO]- 447.99567 207.2
[M+CH3COO]- 462.01132 202.7
[M+Na-2H]- 423.97214 192.7
[M]+ 402.99692 212.0
[M]- 402.99802 212.0
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.