CID 511720

(2s,5r)-2-(2-bromo-6,7-dichloro-4-quinolyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C14H12BrCl2NO4
SMILES
C1=C(C2=CC(=C(C=C2N=C1Br)Cl)Cl)[C@H]3C(C([C@H](O3)CO)O)O
InChI
InChI=1S/C14H12BrCl2NO4/c15-11-2-6(14-13(21)12(20)10(4-19)22-14)5-1-7(16)8(17)3-9(5)18-11/h1-3,10,12-14,19-21H,4H2/t10-,12?,13?,14+/m1/s1
InChIKey
USZSOZMLGLUAIH-OFVDZJKFSA-N
Compound name
(2S,5R)-2-(2-bromo-6,7-dichloroquinolin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.93268 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.93996 180.2
[M+Na]+ 429.92190 194.3
[M-H]- 405.92540 186.2
[M+NH4]+ 424.96650 195.5
[M+K]+ 445.89584 180.7
[M+H-H2O]+ 389.92994 181.4
[M+HCOO]- 451.93088 184.8
[M+CH3COO]- 465.94653 192.2
[M+Na-2H]- 427.90735 181.2
[M]+ 406.93213 201.5
[M]- 406.93323 201.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.