CID 71751137

1391051-68-5

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 201.0
[M+Na]+ 457.15452 203.6
[M-H]- 433.15802 206.3
[M+NH4]+ 452.19912 208.1
[M+K]+ 473.12846 203.1
[M+H-H2O]+ 417.16256 189.3
[M+HCOO]- 479.16350 212.0
[M+CH3COO]- 493.17915 236.5
[M+Na-2H]- 455.13997 202.1
[M]+ 434.16475 198.5
[M]- 434.16585 198.5
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.