CID 24212796

853331-19-8

Structural Information

Molecular Formula
C16H18BrNO2
SMILES
CC(C)NC(=O)CCC1=CC=C(O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H18BrNO2/c1-11(2)18-16(19)10-8-14-7-9-15(20-14)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKey
POOBKONWCXRICY-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-propan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0521 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05938 176.0
[M+Na]+ 358.04132 185.2
[M-H]- 334.04482 185.6
[M+NH4]+ 353.08592 193.6
[M+K]+ 374.01526 174.7
[M+H-H2O]+ 318.04936 174.5
[M+HCOO]- 380.05030 196.5
[M+CH3COO]- 394.06595 208.1
[M+Na-2H]- 356.02677 178.4
[M]+ 335.05155 196.3
[M]- 335.05265 196.3
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.