CID 10753238

301538-59-0

Structural Information

Molecular Formula
C16H13NO2
SMILES
CNC1=C(OC2=CC=CC=C21)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2/c1-17-14-12-9-5-6-10-13(12)19-16(14)15(18)11-7-3-2-4-8-11/h2-10,17H,1H3
InChIKey
QDMQCUCBTWSZRV-UHFFFAOYSA-N
Compound name
[3-(methylamino)-1-benzofuran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 154.9
[M+Na]+ 274.08386 164.1
[M-H]- 250.08736 164.1
[M+NH4]+ 269.12846 173.2
[M+K]+ 290.05780 160.9
[M+H-H2O]+ 234.09190 147.9
[M+HCOO]- 296.09284 180.4
[M+CH3COO]- 310.10849 168.7
[M+Na-2H]- 272.06931 161.8
[M]+ 251.09409 158.0
[M]- 251.09519 158.0
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.