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
7
Annotation Hits

53
References

801
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 164.3
[M+Na]+ 329.02996 172.3
[M-H]- 305.03346 167.6
[M+NH4]+ 324.07456 176.9
[M+K]+ 345.00390 167.2
[M+H-H2O]+ 289.03800 157.2
[M+HCOO]- 351.03894 180.1
[M+CH3COO]- 365.05459 200.0
[M+Na-2H]- 327.01541 167.2
[M]+ 306.04019 166.0
[M]- 306.04129 166.0
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