CID 44407

2-bromo-7-((dimethylamino)methyl)-3-phenyl-6-benzofuranol hydrochloride

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
CN(C)CC1=C(C=CC2=C1OC(=C2C3=CC=CC=C3)Br)O
InChI
InChI=1S/C17H16BrNO2/c1-19(2)10-13-14(20)9-8-12-15(17(18)21-16(12)13)11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3
InChIKey
WPNIGCDVUXJNHT-UHFFFAOYSA-N
Compound name
2-bromo-7-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03644 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 175.7
[M+Na]+ 368.02566 188.1
[M-H]- 344.02916 187.2
[M+NH4]+ 363.07026 194.4
[M+K]+ 383.99960 177.6
[M+H-H2O]+ 328.03370 174.6
[M+HCOO]- 390.03464 197.7
[M+CH3COO]- 404.05029 190.2
[M+Na-2H]- 366.01111 180.9
[M]+ 345.03589 198.7
[M]- 345.03699 198.7
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.