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 214.8
[M-H]- 445.16632 208.5
[M+NH4]+ 464.20742 211.8
[M+K]+ 485.13676 208.5
[M+H-H2O]+ 429.17086 194.6
[M+HCOO]- 491.17180 212.6
[M+CH3COO]- 505.18745 212.5
[M+Na-2H]- 467.14827 203.7
[M]+ 446.17305 209.5
[M]- 446.17415 209.5
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.