CID 71301

Nebivolol

Structural Information

Molecular Formula
C22H25F2NO4
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O
InChI
InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2
InChIKey
KOHIRBRYDXPAMZ-UHFFFAOYSA-N
Compound name
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1088
References

13896
Patents

405.17517 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18245 195.7
[M+Na]+ 428.16439 198.7
[M-H]- 404.16789 198.5
[M+NH4]+ 423.20899 203.4
[M+K]+ 444.13833 195.7
[M+H-H2O]+ 388.17243 184.9
[M+HCOO]- 450.17337 203.5
[M+CH3COO]- 464.18902 201.9
[M+Na-2H]- 426.14984 196.3
[M]+ 405.17462 190.2
[M]- 405.17572 190.2
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.