CID 172640779

Dtxsid101366270

Structural Information

Molecular Formula

C₁₉H₂₈N₄O₃

SMILES

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCC(CC3)(COC)O)C

InChI

InChI=1S/C19H28N4O3/c1-5-14(3)23-17-16(11-20-23)15(10-13(2)21-17)18(24)22-8-6-19(25,7-9-22)12-26-4/h10-11,14,25H,5-9,12H2,1-4H3

InChIKey

DROWUIRXUAVSPL-UHFFFAOYSA-N

Compound name

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.21616 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	361.223436	188.1
[M+Na]+	383.205378	195.3
[M-H]-	359.208884	189.2
[M+NH4]+	378.249983	199.6
[M+K]+	399.179318	191.2
[M+H-H2O]+	343.213420	178.5
[M+HCOO]-	405.214361	200.4
[M+CH3COO]-	419.230011	214.3
[M+Na-2H]-	381.190826	187.5
[M]+	360.21561142	190.0
[M]-	360.21670858	190.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.