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]+ 224.058516 145.5
[M+Na]+ 246.040458 158.3
[M-H]- 222.043964 146.9
[M+NH4]+ 241.085063 164.1
[M+K]+ 262.014398 153.6
[M+H-H2O]+ 206.048500 138.3
[M+HCOO]- 268.049441 162.4
[M+CH3COO]- 282.065091 188.9
[M+Na-2H]- 244.025906 150.7
[M]+ 223.05069142 151.3
[M]- 223.05178858 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