CID 23634441

Vadadustat

Structural Information

Molecular Formula
C14H11ClN2O4
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O
InChI
InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
InChIKey
JGRXMPYUTJLTKT-UHFFFAOYSA-N
Compound name
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

52
References

797
Patents

306.04074 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04802 166.0
[M+Na]+ 329.02996 178.7
[M+NH4]+ 324.07456 171.7
[M+K]+ 345.00390 173.6
[M-H]- 305.03346 167.8
[M+Na-2H]- 327.01541 172.4
[M]+ 306.04019 168.3
[M]- 306.04129 168.3
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

patents stripe