CID 44112

Bopindolol

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
InChIKey
UUOJIACWOAYWEZ-UHFFFAOYSA-N
Compound name
[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

142
References

6499
Patents

380.21 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 193.9
[M+Na]+ 403.19922 205.0
[M+NH4]+ 398.24382 199.9
[M+K]+ 419.17316 200.6
[M-H]- 379.20272 196.4
[M+Na-2H]- 401.18467 199.7
[M]+ 380.20945 196.1
[M]- 380.21055 196.1
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