CID 10688398

301538-66-9

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CN(C)CCCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N
InChI
InChI=1S/C20H22N2O3/c1-22(2)12-5-13-24-15-10-8-14(9-11-15)19(23)20-18(21)16-6-3-4-7-17(16)25-20/h3-4,6-11H,5,12-13,21H2,1-2H3
InChIKey
VAYCWHCKDRBOJM-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-[4-[3-(dimethylamino)propoxy]phenyl]methanone
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]+ 339.170336 182.2
[M+Na]+ 361.152278 189.3
[M-H]- 337.155784 191.8
[M+NH4]+ 356.196883 197.0
[M+K]+ 377.126218 187.1
[M+H-H2O]+ 321.160320 173.8
[M+HCOO]- 383.161261 207.2
[M+CH3COO]- 397.176911 219.7
[M+Na-2H]- 359.137726 185.0
[M]+ 338.16251142 187.9
[M]- 338.16360858 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.