CID 50497

69405-60-3

Structural Information

Molecular Formula
C17H16ClNO2
SMILES
CN(C)CC1=C(C=CC2=C1C(=C(O2)Cl)C3=CC=CC=C3)O
InChI
InChI=1S/C17H16ClNO2/c1-19(2)10-12-13(20)8-9-14-16(12)15(17(18)21-14)11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3
InChIKey
GGFWLXAYCVAJLJ-UHFFFAOYSA-N
Compound name
2-chloro-4-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.08694 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.094216 169.3
[M+Na]+ 324.076158 180.3
[M-H]- 300.079664 178.7
[M+NH4]+ 319.120763 187.2
[M+K]+ 340.050098 175.9
[M+H-H2O]+ 284.084200 163.0
[M+HCOO]- 346.085141 189.5
[M+CH3COO]- 360.100791 182.7
[M+Na-2H]- 322.061606 173.5
[M]+ 301.08639142 176.5
[M]- 301.08748858 176.5
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.