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 179.0
[M+Na]+ 352.10748 189.0
[M-H]- 328.11098 188.0
[M+NH4]+ 347.15208 195.7
[M+K]+ 368.08142 184.1
[M+H-H2O]+ 312.11552 172.2
[M+HCOO]- 374.11646 198.4
[M+CH3COO]- 388.13211 212.3
[M+Na-2H]- 350.09293 182.1
[M]+ 329.11771 186.8
[M]- 329.11881 186.8
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.