CID 57801

100347-63-5

Structural Information

Molecular Formula
C19H20BrNO2
SMILES
CCN(CC)CC1=CC2=C(C=C(O2)C3=CC=CC=C3)C(=C1O)Br
InChI
InChI=1S/C19H20BrNO2/c1-3-21(4-2)12-14-10-17-15(18(20)19(14)22)11-16(23-17)13-8-6-5-7-9-13/h5-11,22H,3-4,12H2,1-2H3
InChIKey
SZBNEVHYDNZXLW-UHFFFAOYSA-N
Compound name
4-bromo-6-(diethylaminomethyl)-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.06775 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.07503 181.5
[M+Na]+ 396.05697 186.6
[M+NH4]+ 391.10157 186.5
[M+K]+ 412.03091 186.2
[M-H]- 372.06047 186.1
[M+Na-2H]- 394.04242 185.2
[M]+ 373.06720 182.6
[M]- 373.06830 182.6
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.