CID 24212789

853331-00-7

Structural Information

Molecular Formula
C19H15Br2NO2
SMILES
C1=CC(=CC(=C1)Br)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H15Br2NO2/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
XIRRLHXVRPARCB-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-3-[5-(4-bromophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.94696 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.95424 185.8
[M+Na]+ 469.93618 194.2
[M-H]- 445.93968 197.3
[M+NH4]+ 464.98078 199.7
[M+K]+ 485.91012 179.6
[M+H-H2O]+ 429.94422 192.0
[M+HCOO]- 491.94516 201.8
[M+CH3COO]- 505.96081 197.4
[M+Na-2H]- 467.92163 188.5
[M]+ 446.94641 220.5
[M]- 446.94751 220.5
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.