CID 7176317

269075-50-5

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 158.8
[M+Na]+ 290.07876 168.7
[M-H]- 266.08226 167.9
[M+NH4]+ 285.12336 176.4
[M+K]+ 306.05270 165.9
[M+H-H2O]+ 250.08680 151.8
[M+HCOO]- 312.08774 183.8
[M+CH3COO]- 326.10339 172.5
[M+Na-2H]- 288.06421 164.0
[M]+ 267.08899 162.7
[M]- 267.09009 162.7
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

No patent data available for this compound.