CID 7176317

(3-amino-7-methoxybenzofuran-2-yl)(phenyl)methanone

Structural Information

Molecular Formula
C16H13NO3
SMILES
COC1=CC=CC2=C1OC(=C2N)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO3/c1-19-12-9-5-8-11-13(17)16(20-15(11)12)14(18)10-6-3-2-4-7-10/h2-9H,17H2,1H3
InChIKey
INMTUPHHOLFIEJ-UHFFFAOYSA-N
Compound name
(3-amino-7-methoxy-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.