CID 10407934

Schembl2836381

Structural Information

Molecular Formula
C19H18BrNO3
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H18BrNO3/c1-11(2)23-14-8-9-16-15(10-14)17(19(22)21-3)18(24-16)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,21,22)
InChIKey
DQUOBWCEDGGSKR-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

387.047 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05428 187.3
[M+Na]+ 410.03622 198.5
[M-H]- 386.03972 198.5
[M+NH4]+ 405.08082 204.0
[M+K]+ 426.01016 188.2
[M+H-H2O]+ 370.04426 185.7
[M+HCOO]- 432.04520 207.9
[M+CH3COO]- 446.06085 218.3
[M+Na-2H]- 408.02167 190.3
[M]+ 387.04645 210.7
[M]- 387.04755 210.7
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

patents stripe