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

1
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

patents stripe