CID 24751752

Azd-1236

Structural Information

Molecular Formula
C15H19ClN4O5S
SMILES
C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=NC=C(C=C3)Cl
InChI
InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1
InChIKey
SFJFBTPHDHUUPU-OAHLLOKOSA-N
Compound name
(5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

171
Patents

402.07648 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08376 188.9
[M+Na]+ 425.06570 196.0
[M-H]- 401.06920 190.7
[M+NH4]+ 420.11030 197.7
[M+K]+ 441.03964 190.2
[M+H-H2O]+ 385.07374 181.5
[M+HCOO]- 447.07468 190.4
[M+CH3COO]- 461.09033 208.8
[M+Na-2H]- 423.05115 187.9
[M]+ 402.07593 187.9
[M]- 402.07703 187.9
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