CID 50989020

2-{1,4,6-trimethyl-3-oxo-1h,2h,3h-pyrazolo[3,4-b]pyridin-5-yl}acetic acid

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)O
InChI
InChI=1S/C11H13N3O3/c1-5-7(4-8(15)16)6(2)12-10-9(5)11(17)13-14(10)3/h4H2,1-3H3,(H,13,17)(H,15,16)
InChIKey
NNSXIRLISOWKTL-UHFFFAOYSA-N
Compound name
2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 152.0
[M+Na]+ 258.08491 164.7
[M+NH4]+ 253.12951 157.2
[M+K]+ 274.05885 162.3
[M-H]- 234.08841 150.2
[M+Na-2H]- 256.07036 154.7
[M]+ 235.09514 153.0
[M]- 235.09624 153.0
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.