CID 160261

Rmi-11567 dihydrochloride

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CN(C)CC(=O)C1=CC2=C(C=C1)OC3=C2C=C(C=C3)C(=O)CN(C)C
InChI
InChI=1S/C20H22N2O3/c1-21(2)11-17(23)13-5-7-19-15(9-13)16-10-14(6-8-20(16)25-19)18(24)12-22(3)4/h5-10H,11-12H2,1-4H3
InChIKey
BOVBIKZEYCNNDU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-[8-[2-(dimethylamino)acetyl]dibenzofuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

338.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.170336 182.8
[M+Na]+ 361.152278 189.8
[M-H]- 337.155784 191.8
[M+NH4]+ 356.196883 199.5
[M+K]+ 377.126218 189.2
[M+H-H2O]+ 321.160320 175.1
[M+HCOO]- 383.161261 206.2
[M+CH3COO]- 397.176911 225.6
[M+Na-2H]- 359.137726 185.2
[M]+ 338.16251142 190.5
[M]- 338.16360858 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe