CID 3075251

173284-31-6

Structural Information

Molecular Formula
C20H26N6O4S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCOCCN3CCN(CC3)C4=NC=CC=N4)C
InChI
InChI=1S/C20H26N6O4S/c1-15-14-16(2)23-18-17(15)19(27)26(31(18,28)29)11-13-30-12-10-24-6-8-25(9-7-24)20-21-4-3-5-22-20/h3-5,14H,6-13H2,1-2H3
InChIKey
MOICCSIQBILVRL-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,1-dioxo-2-[2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1736 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18088 205.7
[M+Na]+ 469.16282 218.1
[M+NH4]+ 464.20742 210.7
[M+K]+ 485.13676 210.2
[M-H]- 445.16632 206.8
[M+Na-2H]- 467.14827 210.6
[M]+ 446.17305 208.1
[M]- 446.17415 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.