CID 16785771

6-cyclopropyl-1-(2-hydroxyethyl)-3-methyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)CCO
InChI
InChI=1S/C13H15N3O3/c1-7-11-9(13(18)19)6-10(8-2-3-8)14-12(11)16(15-7)4-5-17/h6,8,17H,2-5H2,1H3,(H,18,19)
InChIKey
GUSVYNQNXQJZJV-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 164.9
[M+Na]+ 284.100548 177.2
[M-H]- 260.104054 167.7
[M+NH4]+ 279.145153 175.0
[M+K]+ 300.074488 170.4
[M+H-H2O]+ 244.108590 157.4
[M+HCOO]- 306.109531 183.2
[M+CH3COO]- 320.125181 196.0
[M+Na-2H]- 282.085996 167.1
[M]+ 261.11078142 170.4
[M]- 261.11187858 170.4
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.