CID 4961936

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

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
CC(C)N1C2=NC(=C(C=C2C=N1)C=O)Cl
InChI
InChI=1S/C10H10ClN3O/c1-6(2)14-10-7(4-12-14)3-8(5-15)9(11)13-10/h3-6H,1-2H3
InChIKey
QGQIWAJNLSXJBZ-UHFFFAOYSA-N
Compound name
6-chloro-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.05124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 145.1
[M+Na]+ 246.04046 160.2
[M+NH4]+ 241.08506 153.0
[M+K]+ 262.01440 155.2
[M-H]- 222.04396 145.6
[M+Na-2H]- 244.02591 151.2
[M]+ 223.05069 147.6
[M]- 223.05179 147.6
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

patents stripe