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[5,4-b]pyridin-3-yl]-5-phenyldiazenylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

439.16693 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.174206 202.9
[M+Na]+ 462.156148 213.5
[M-H]- 438.159654 212.3
[M+NH4]+ 457.200753 207.7
[M+K]+ 478.130088 203.8
[M+H-H2O]+ 422.164190 187.8
[M+HCOO]- 484.165131 226.2
[M+CH3COO]- 498.180781 211.5
[M+Na-2H]- 460.141596 209.5
[M]+ 439.16638142 203.3
[M]- 439.16747858 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