CID 16227680

901864-71-9

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CC1=C(C(=NC2=C1C(=NN2C)C)C)CCC(=O)O

InChI

InChI=1S/C13H17N3O2/c1-7-10(5-6-11(17)18)8(2)14-13-12(7)9(3)15-16(13)4/h5-6H2,1-4H3,(H,17,18)

InChIKey

ANFVWZFBIOBMTE-UHFFFAOYSA-N

Compound name

3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.13208 Da
Monoisotopic Mass: 1.8
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]+	248.139356	157.0
[M+Na]+	270.121298	169.1
[M-H]-	246.124804	157.8
[M+NH4]+	265.165903	173.7
[M+K]+	286.095238	165.0
[M+H-H2O]+	230.129340	149.9
[M+HCOO]-	292.130281	176.4
[M+CH3COO]-	306.145931	196.1
[M+Na-2H]-	268.106746	159.3
[M]+	247.13153142	162.5
[M]-	247.13262858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe