CID 463827

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

Structural Information

Molecular Formula
C15H21N3O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCCC3)O)C
InChI
InChI=1S/C15H21N3O2S/c1-10-7-11(2)16-14-13(10)15(20)18(21-14)9-12(19)8-17-5-3-4-6-17/h7,12,19H,3-6,8-9H2,1-2H3
InChIKey
GOLJAAMHEDXBOP-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-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

307.13544 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14272 171.5
[M+Na]+ 330.12466 181.5
[M-H]- 306.12816 175.2
[M+NH4]+ 325.16926 187.7
[M+K]+ 346.09860 176.9
[M+H-H2O]+ 290.13270 164.7
[M+HCOO]- 352.13364 185.0
[M+CH3COO]- 366.14929 182.6
[M+Na-2H]- 328.11011 168.3
[M]+ 307.13489 175.6
[M]- 307.13599 175.6
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.