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
7
Annotation Hits

142
References

7024
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 194.9
[M+Na]+ 403.19922 199.9
[M-H]- 379.20272 199.7
[M+NH4]+ 398.24382 207.0
[M+K]+ 419.17316 195.4
[M+H-H2O]+ 363.20726 186.3
[M+HCOO]- 425.20820 213.5
[M+CH3COO]- 439.22385 219.6
[M+Na-2H]- 401.18467 197.0
[M]+ 380.20945 198.4
[M]- 380.21055 198.4
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.