CID 12073810

Azd8309

Structural Information

Molecular Formula
C15H14F2N4O2S2
SMILES
C[C@H](CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)F)F
InChI
InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
InChIKey
SRHSMXLXWORYJK-SSDOTTSWSA-N
Compound name
5-[(2,3-difluorophenyl)methylsulfanyl]-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

108
Patents

384.0526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05988 179.0
[M+Na]+ 407.04182 189.2
[M+NH4]+ 402.08642 183.8
[M+K]+ 423.01576 182.1
[M-H]- 383.04532 178.2
[M+Na-2H]- 405.02727 182.4
[M]+ 384.05205 180.7
[M]- 384.05315 180.7
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