CID 3006959

(1s,4r)-4-(4-chloroimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H12ClN3O4
SMILES
C1[C@@H](C(C([C@@H]1N2C=NC3=C2C=CN=C3Cl)O)O)C(=O)O
InChI
InChI=1S/C12H12ClN3O4/c13-11-8-6(1-2-14-11)16(4-15-8)7-3-5(12(19)20)9(17)10(7)18/h1-2,4-5,7,9-10,17-18H,3H2,(H,19,20)/t5-,7+,9?,10?/m0/s1
InChIKey
OQABIXVDEDIDJE-WRFZVLGZSA-N
Compound name
(1S,4R)-4-(4-chloroimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.05164 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05892 162.8
[M+Na]+ 320.04086 173.5
[M-H]- 296.04436 164.2
[M+NH4]+ 315.08546 177.8
[M+K]+ 336.01480 168.2
[M+H-H2O]+ 280.04890 156.4
[M+HCOO]- 342.04984 174.5
[M+CH3COO]- 356.06549 173.8
[M+Na-2H]- 318.02631 162.1
[M]+ 297.05109 164.6
[M]- 297.05219 164.6
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.