CID 51045

Bucindolol

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O
InChI
InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3
InChIKey
FBMYKMYQHCBIGU-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

144
References

7398
Patents

363.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 196.5
[M+Na]+ 386.18389 204.1
[M-H]- 362.18739 198.1
[M+NH4]+ 381.22849 206.9
[M+K]+ 402.15783 195.9
[M+H-H2O]+ 346.19193 181.5
[M+HCOO]- 408.19287 210.9
[M+CH3COO]- 422.20852 223.3
[M+Na-2H]- 384.16934 198.3
[M]+ 363.19412 192.0
[M]- 363.19522 192.0
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.