CID 72165213

1539296-45-1

Structural Information

Molecular Formula
C18H16N6O
SMILES
CC1=C(C=NC=C1)C2=NN(C3=NC(=CN=C23)OCC4=CC=CC=N4)C
InChI
InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3
InChIKey
RDLSKDOSNKLEAQ-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

332.13855 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14583 178.7
[M+Na]+ 355.12777 197.1
[M+NH4]+ 350.17237 185.1
[M+K]+ 371.10171 190.6
[M-H]- 331.13127 182.6
[M+Na-2H]- 353.11322 189.4
[M]+ 332.13800 182.6
[M]- 332.13910 182.6
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.