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 181.4
[M+Na]+ 355.12777 193.3
[M-H]- 331.13127 185.3
[M+NH4]+ 350.17237 189.5
[M+K]+ 371.10171 185.5
[M+H-H2O]+ 315.13581 168.5
[M+HCOO]- 377.13675 199.0
[M+CH3COO]- 391.15240 191.3
[M+Na-2H]- 353.11322 187.1
[M]+ 332.13800 185.6
[M]- 332.13910 185.6
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.