CID 71733

Bufuralol

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O
InChI
InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3
InChIKey
SSEBTPPFLLCUMN-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

292
References

3147
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.3
[M+Na]+ 284.16210 173.4
[M+NH4]+ 279.20670 170.0
[M+K]+ 300.13604 169.7
[M-H]- 260.16560 165.2
[M+Na-2H]- 282.14755 166.5
[M]+ 261.17233 164.7
[M]- 261.17343 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe