CID 24212801

853331-30-3

Structural Information

Molecular Formula
C20H18BrNO2
SMILES
CC1=CC=CC=C1NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H18BrNO2/c1-14-4-2-3-5-18(14)22-20(23)13-11-17-10-12-19(24-17)15-6-8-16(21)9-7-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKey
RZNJODUNTUWFSE-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0521 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05938 187.6
[M+Na]+ 406.04132 197.2
[M-H]- 382.04482 200.2
[M+NH4]+ 401.08592 203.1
[M+K]+ 422.01526 185.8
[M+H-H2O]+ 366.04936 185.4
[M+HCOO]- 428.05030 209.0
[M+CH3COO]- 442.06595 215.7
[M+Na-2H]- 404.02677 190.3
[M]+ 383.05155 207.8
[M]- 383.05265 207.8
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.