CID 45828321

1211410-24-0

Structural Information

Molecular Formula

C₁₇H₂₄N₄OS

SMILES

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)N3CCSCC3

InChI

InChI=1S/C17H24N4OS/c1-11(2)15-9-13(17(22)20-5-7-23-8-6-20)14-10-18-21(12(3)4)16(14)19-15/h9-12H,5-8H2,1-4H3

InChIKey

QPEIKQLIDSCBJE-UHFFFAOYSA-N

Compound name

[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 332.16708 Da
Monoisotopic Mass: 2.6
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]+	333.174356	179.0
[M+Na]+	355.156298	186.3
[M-H]-	331.159804	181.4
[M+NH4]+	350.200903	191.0
[M+K]+	371.130238	181.8
[M+H-H2O]+	315.164340	170.2
[M+HCOO]-	377.165281	187.4
[M+CH3COO]-	391.180931	188.0
[M+Na-2H]-	353.141746	175.7
[M]+	332.16653142	180.6
[M]-	332.16762858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe