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 190.9
[M+Na]+ 402.13119 201.9
[M-H]- 378.13469 203.1
[M+NH4]+ 397.17579 206.1
[M+K]+ 418.10513 200.9
[M+H-H2O]+ 362.13923 185.0
[M+HCOO]- 424.14017 214.3
[M+CH3COO]- 438.15582 224.8
[M+Na-2H]- 400.11664 192.4
[M]+ 379.14142 202.8
[M]- 379.14252 202.8
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.