CID 91617630

Daprodustat

Structural Information

Molecular Formula
C19H27N3O6
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O
InChI
InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKey
RUEYEZADQJCKGV-UHFFFAOYSA-N
Compound name
2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

81
References

542
Patents

393.18997 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19725 191.5
[M+Na]+ 416.17919 191.4
[M-H]- 392.18269 194.7
[M+NH4]+ 411.22379 197.6
[M+K]+ 432.15313 188.6
[M+H-H2O]+ 376.18723 181.5
[M+HCOO]- 438.18817 199.3
[M+CH3COO]- 452.20382 221.7
[M+Na-2H]- 414.16464 185.8
[M]+ 393.18942 181.4
[M]- 393.19052 181.4
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