CID 50499

3-chloro-4-(diethylaminomethyl)-2-phenyl-5-benzofuranol hydrochloride

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
CCN(CC)CC1=C(C=CC2=C1C(=C(O2)C3=CC=CC=C3)Cl)O
InChI
InChI=1S/C19H20ClNO2/c1-3-21(4-2)12-14-15(22)10-11-16-17(14)18(20)19(23-16)13-8-6-5-7-9-13/h5-11,22H,3-4,12H2,1-2H3
InChIKey
RFQQTRPBLNKEDT-UHFFFAOYSA-N
Compound name
3-chloro-4-(diethylaminomethyl)-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12554 176.9
[M+Na]+ 352.10748 192.9
[M+NH4]+ 347.15208 186.1
[M+K]+ 368.08142 185.7
[M-H]- 328.11098 183.9
[M+Na-2H]- 350.09293 184.6
[M]+ 329.11771 181.7
[M]- 329.11881 181.7
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.