CID 3076958

Methanone, (4-((dimethylamino)methyl)-5-hydroxy-2-methyl-3-benzofuranyl)(5-methoxy-2-benzofuranyl)-, hydrochloride

Structural Information

Molecular Formula
C22H21NO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2CN(C)C)O)C(=O)C3=CC4=C(O3)C=CC(=C4)OC
InChI
InChI=1S/C22H21NO5/c1-12-20(21-15(11-23(2)3)16(24)6-8-18(21)27-12)22(25)19-10-13-9-14(26-4)5-7-17(13)28-19/h5-10,24H,11H2,1-4H3
InChIKey
OYMLJKDPHDSKMZ-UHFFFAOYSA-N
Compound name
[4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 188.1
[M+Na]+ 402.13119 202.6
[M+NH4]+ 397.17579 195.3
[M+K]+ 418.10513 200.7
[M-H]- 378.13469 195.1
[M+Na-2H]- 400.11664 192.6
[M]+ 379.14142 192.3
[M]- 379.14252 192.3
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.