CID 45949

1-(dibenzofuran-2'-yl)-2-diethylaminoethanol hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCN(CC)CC(C1=CC2=C(C=C1)OC3=CC=CC=C32)O
InChI
InChI=1S/C18H21NO2/c1-3-19(4-2)12-16(20)13-9-10-18-15(11-13)14-7-5-6-8-17(14)21-18/h5-11,16,20H,3-4,12H2,1-2H3
InChIKey
QIYHJBIKSBTHAU-UHFFFAOYSA-N
Compound name
1-dibenzofuran-2-yl-2-(diethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.6
[M+Na]+ 306.14645 175.1
[M-H]- 282.14995 173.8
[M+NH4]+ 301.19105 185.9
[M+K]+ 322.12039 172.5
[M+H-H2O]+ 266.15449 160.8
[M+HCOO]- 328.15543 189.4
[M+CH3COO]- 342.17108 206.0
[M+Na-2H]- 304.13190 172.7
[M]+ 283.15668 172.6
[M]- 283.15778 172.6
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.