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[5,4-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]+ 272.058516 159.1
[M+Na]+ 294.040458 172.7
[M-H]- 270.043964 163.8
[M+NH4]+ 289.085063 175.6
[M+K]+ 310.014398 165.8
[M+H-H2O]+ 254.048500 150.2
[M+HCOO]- 316.049441 177.0
[M+CH3COO]- 330.065091 172.2
[M+Na-2H]- 292.025906 164.7
[M]+ 271.05069142 164.9
[M]- 271.05178858 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.