CID 3076960

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

Structural Information

Molecular Formula
C21H18BrNO4
SMILES
CC1=C(C2=C(O1)C=CC(=C2CN(C)C)O)C(=O)C3=CC4=C(O3)C=CC(=C4)Br
InChI
InChI=1S/C21H18BrNO4/c1-11-19(20-14(10-23(2)3)15(24)5-7-17(20)26-11)21(25)18-9-12-8-13(22)4-6-16(12)27-18/h4-9,24H,10H2,1-3H3
InChIKey
VSGQFZOMOYUARU-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzofuran-2-yl)-[4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.04193 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.04921 194.0
[M+Na]+ 450.03115 199.1
[M+NH4]+ 445.07575 198.0
[M+K]+ 466.00509 201.8
[M-H]- 426.03465 198.9
[M+Na-2H]- 448.01660 195.2
[M]+ 427.04138 195.1
[M]- 427.04248 195.1
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.