CID 4961936

6-chloro-1-(propan-2-yl)-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 145.5
[M+Na]+ 246.04046 158.3
[M-H]- 222.04396 146.9
[M+NH4]+ 241.08506 164.1
[M+K]+ 262.01440 153.6
[M+H-H2O]+ 206.04850 138.3
[M+HCOO]- 268.04944 162.4
[M+CH3COO]- 282.06509 188.9
[M+Na-2H]- 244.02591 150.7
[M]+ 223.05069 151.3
[M]- 223.05179 151.3
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