CID 169502186

Hydroxynebivolol

Structural Information

Molecular Formula
C22H25F2NO5
SMILES
C1CC2=CC(=C(C=C2OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O)O)F
InChI
InChI=1S/C22H25F2NO5/c23-14-3-6-19-12(7-14)1-4-20(29-19)17(27)10-25-11-18(28)21-5-2-13-8-15(24)16(26)9-22(13)30-21/h3,6-9,17-18,20-21,25-28H,1-2,4-5,10-11H2
InChIKey
VQIZYPRMMDNYIZ-UHFFFAOYSA-N
Compound name
6-fluoro-2-[2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

421.17007 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17735 198.9
[M+Na]+ 444.15929 202.1
[M-H]- 420.16279 200.7
[M+NH4]+ 439.20389 205.4
[M+K]+ 460.13323 199.3
[M+H-H2O]+ 404.16733 188.4
[M+HCOO]- 466.16827 205.3
[M+CH3COO]- 480.18392 225.9
[M+Na-2H]- 442.14474 198.6
[M]+ 421.16952 193.6
[M]- 421.17062 193.6
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.