CID 71751137

N-nitroso nebivolol

Structural Information

Molecular Formula
C22H24F2N2O5
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CN(CC(C3CCC4=C(O3)C=CC(=C4)F)O)N=O)O
InChI
InChI=1S/C22H24F2N2O5/c23-15-3-7-19-13(9-15)1-5-21(30-19)17(27)11-26(25-29)12-18(28)22-6-2-14-10-16(24)4-8-20(14)31-22/h3-4,7-10,17-18,21-22,27-28H,1-2,5-6,11-12H2
InChIKey
TXDRIMZKXCWKRC-UHFFFAOYSA-N
Compound name
N,N-bis[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1653 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17258 202.4
[M+Na]+ 457.15452 210.6
[M+NH4]+ 452.19912 207.2
[M+K]+ 473.12846 205.9
[M-H]- 433.15802 206.2
[M+Na-2H]- 455.13997 203.3
[M]+ 434.16475 204.2
[M]- 434.16585 204.2
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.