CID 168752082

Blu-222

Structural Information

Molecular Formula
C15H17F2N7O2
SMILES
C1COCCC1CN2C3=NC(=CN=C3C=N2)NC4=CC(=NN4)OC(F)F
InChI
InChI=1S/C15H17F2N7O2/c16-15(17)26-13-5-11(22-23-13)20-12-7-18-10-6-19-24(14(10)21-12)8-9-1-3-25-4-2-9/h5-7,9,15H,1-4,8H2,(H2,20,21,22,23)
InChIKey
IFJSYTKOMJJYNP-UHFFFAOYSA-N
Compound name
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

365.14117 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14845 177.3
[M+Na]+ 388.13039 184.8
[M-H]- 364.13389 177.8
[M+NH4]+ 383.17499 183.2
[M+K]+ 404.10433 179.9
[M+H-H2O]+ 348.13843 164.0
[M+HCOO]- 410.13937 189.0
[M+CH3COO]- 424.15502 184.9
[M+Na-2H]- 386.11584 178.1
[M]+ 365.14062 174.6
[M]- 365.14172 174.6
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