CID 29536

4-dimethylaminomethyl-3-(2,4-dimethylbenzoyl)-5-hydroxybenzofuran hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
CC1=CC(=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN(C)C)C
InChI
InChI=1S/C20H21NO3/c1-12-5-6-14(13(2)9-12)20(23)16-11-24-18-8-7-17(22)15(19(16)18)10-21(3)4/h5-9,11,22H,10H2,1-4H3
InChIKey
FGILXWIWKFSFHR-UHFFFAOYSA-N
Compound name
[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]-(2,4-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.5
[M+Na]+ 346.14135 186.9
[M-H]- 322.14485 187.2
[M+NH4]+ 341.18595 193.5
[M+K]+ 362.11529 184.4
[M+H-H2O]+ 306.14939 170.3
[M+HCOO]- 368.15033 200.6
[M+CH3COO]- 382.16598 215.3
[M+Na-2H]- 344.12680 179.0
[M]+ 323.15158 183.9
[M]- 323.15268 183.9
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.