CID 10316448

Schembl2839566

Structural Information

Molecular Formula
C17H14BrNO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H14BrNO3/c1-19-17(20)15-13-9-12(21-2)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKey
KQBNGQUZSYJENL-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

359.01572 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02300 177.2
[M+Na]+ 382.00494 189.6
[M-H]- 358.00844 188.7
[M+NH4]+ 377.04954 195.2
[M+K]+ 397.97888 179.2
[M+H-H2O]+ 342.01298 175.9
[M+HCOO]- 404.01392 199.5
[M+CH3COO]- 418.02957 211.9
[M+Na-2H]- 379.99039 182.5
[M]+ 359.01517 200.7
[M]- 359.01627 200.7
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