CID 75593290

Desidustat

Structural Information

Molecular Formula
C16H16N2O6
SMILES
C1CC1CON2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
InChI
InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)
InChIKey
IKRKQQLJYBAPQT-UHFFFAOYSA-N
Compound name
2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

344
Patents

332.10083 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10811 174.7
[M+Na]+ 355.09005 186.6
[M+NH4]+ 350.13465 179.9
[M+K]+ 371.06399 184.1
[M-H]- 331.09355 182.2
[M+Na-2H]- 353.07550 180.4
[M]+ 332.10028 179.2
[M]- 332.10138 179.2
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