CID 2322309

6-chloro-3-methyl-1-phenyl-1h-pyrazolo[3,4-b]pyridine-5-carbaldehyde

Structural Information

Molecular Formula
C14H10ClN3O
SMILES
CC1=NN(C2=C1C=C(C(=N2)Cl)C=O)C3=CC=CC=C3
InChI
InChI=1S/C14H10ClN3O/c1-9-12-7-10(8-19)13(15)16-14(12)18(17-9)11-5-3-2-4-6-11/h2-8H,1H3
InChIKey
ZXJOVEJZHAMUGN-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.05124 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05852 159.1
[M+Na]+ 294.04046 172.7
[M-H]- 270.04396 163.8
[M+NH4]+ 289.08506 175.6
[M+K]+ 310.01440 165.8
[M+H-H2O]+ 254.04850 150.2
[M+HCOO]- 316.04944 177.0
[M+CH3COO]- 330.06509 172.2
[M+Na-2H]- 292.02591 164.7
[M]+ 271.05069 164.9
[M]- 271.05179 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.