CID 15548675

428854-23-3

Structural Information

Molecular Formula
C23H18FN9
SMILES
C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N
InChI
InChI=1S/C23H18FN9/c24-17-11-5-4-7-14(17)13-33-23-16(10-6-12-27-23)18(32-33)22-28-20(25)19(21(26)29-22)31-30-15-8-2-1-3-9-15/h1-12H,13H2,(H4,25,26,28,29)
InChIKey
NSYPPYLRJKGGOV-UHFFFAOYSA-N
Compound name
2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-phenyldiazenylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

439.16693 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17421 202.9
[M+Na]+ 462.15615 213.5
[M-H]- 438.15965 212.3
[M+NH4]+ 457.20075 207.7
[M+K]+ 478.13009 203.8
[M+H-H2O]+ 422.16419 187.8
[M+HCOO]- 484.16513 226.2
[M+CH3COO]- 498.18078 211.5
[M+Na-2H]- 460.14160 209.5
[M]+ 439.16638 203.3
[M]- 439.16748 203.3
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