CID 463839

2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C17H26N4O3S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)CCO)O)C
InChI
InChI=1S/C17H26N4O3S/c1-12-9-13(2)18-16-15(12)17(24)21(25-16)11-14(23)10-20-5-3-19(4-6-20)7-8-22/h9,14,22-23H,3-8,10-11H2,1-2H3
InChIKey
KWJIDNTWPWLQSJ-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.17258 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17986 186.5
[M+Na]+ 389.16180 194.6
[M-H]- 365.16530 186.5
[M+NH4]+ 384.20640 196.2
[M+K]+ 405.13574 188.6
[M+H-H2O]+ 349.16984 178.3
[M+HCOO]- 411.17078 194.2
[M+CH3COO]- 425.18643 211.3
[M+Na-2H]- 387.14725 183.4
[M]+ 366.17203 189.2
[M]- 366.17313 189.2
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

No patent data available for this compound.