CID 22282145

6-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C9H7ClN4
SMILES
CC1=NN(C2=C1C=C(C(=N2)Cl)C#N)C
InChI
InChI=1S/C9H7ClN4/c1-5-7-3-6(4-11)8(10)12-9(7)14(2)13-5/h3H,1-2H3
InChIKey
ZFVCTMZYYFMTSL-UHFFFAOYSA-N
Compound name
6-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.03592 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04320 140.5
[M+Na]+ 229.02514 155.6
[M-H]- 205.02864 140.8
[M+NH4]+ 224.06974 157.7
[M+K]+ 244.99908 149.6
[M+H-H2O]+ 189.03318 126.4
[M+HCOO]- 251.03412 154.8
[M+CH3COO]- 265.04977 152.8
[M+Na-2H]- 227.01059 145.9
[M]+ 206.03537 140.1
[M]- 206.03647 140.1
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