CID 22109425

941120-75-8

Structural Information

Molecular Formula
C21H17N3O2
SMILES
CC1=NN(C2=C1C(=CC(=N2)C(=O)O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H17N3O2/c1-14-19-17(16-10-6-3-7-11-16)12-18(21(25)26)22-20(19)24(23-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,25,26)
InChIKey
MVQQNZKQWJFBKP-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-4-phenylpyrazolo[3,4-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 182.1
[M+Na]+ 366.12130 199.4
[M+NH4]+ 361.16590 189.4
[M+K]+ 382.09524 192.8
[M-H]- 342.12480 187.2
[M+Na-2H]- 364.10675 192.1
[M]+ 343.13153 186.2
[M]- 343.13263 186.2
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.