CID 10544991

301538-63-6

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CN(C)CCCOC1=CC=CC2=C1OC(=C2N)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O3/c1-22(2)12-7-13-24-16-11-6-10-15-17(21)20(25-19(15)16)18(23)14-8-4-3-5-9-14/h3-6,8-11H,7,12-13,21H2,1-2H3
InChIKey
LPOGLDFCOVWXRI-UHFFFAOYSA-N
Compound name
[3-amino-7-[3-(dimethylamino)propoxy]-1-benzofuran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 182.2
[M+Na]+ 361.15228 189.3
[M-H]- 337.15578 191.8
[M+NH4]+ 356.19688 197.0
[M+K]+ 377.12622 187.1
[M+H-H2O]+ 321.16032 173.8
[M+HCOO]- 383.16126 207.2
[M+CH3COO]- 397.17691 219.7
[M+Na-2H]- 359.13773 185.0
[M]+ 338.16251 187.9
[M]- 338.16361 187.9
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.