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 185.3
[M+Na]+ 396.05697 196.7
[M-H]- 372.06047 196.4
[M+NH4]+ 391.10157 202.8
[M+K]+ 412.03091 185.8
[M+H-H2O]+ 356.06501 183.7
[M+HCOO]- 418.06595 206.5
[M+CH3COO]- 432.08160 216.7
[M+Na-2H]- 394.04242 189.3
[M]+ 373.06720 208.7
[M]- 373.06830 208.7
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.