CID 485376

7-chloro-1,4-dihydro-4-oxo-1-(beta-d-ribofuranosyl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C15H14ClNO7
SMILES
C1=CC2=C(C=C1Cl)N(C=C(C2=O)C(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C15H14ClNO7/c16-6-1-2-7-9(3-6)17(4-8(11(7)19)15(22)23)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1
InChIKey
UYPIUDJRKGFBNT-FMKGYKFTSA-N
Compound name
7-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.04587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05315 173.8
[M+Na]+ 378.03509 183.6
[M-H]- 354.03859 177.0
[M+NH4]+ 373.07969 185.5
[M+K]+ 394.00903 179.7
[M+H-H2O]+ 338.04313 168.7
[M+HCOO]- 400.04407 183.2
[M+CH3COO]- 414.05972 204.5
[M+Na-2H]- 376.02054 173.2
[M]+ 355.04532 177.1
[M]- 355.04642 177.1
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.