CID 693230

(3-amino-1-benzofuran-2-yl)(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C16H13NO3
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N
InChI
InChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,17H2,1H3
InChIKey
BLZJBFVSORKWST-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

267.08954 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 158.7
[M+Na]+ 290.07876 173.3
[M+NH4]+ 285.12336 167.2
[M+K]+ 306.05270 168.5
[M-H]- 266.08226 164.9
[M+Na-2H]- 288.06421 166.5
[M]+ 267.08899 162.6
[M]- 267.09009 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe