CID 58065603

1350653-30-3

Structural Information

Molecular Formula
C17H14F2N8
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)C4=NC(=C(C(=N4)N)N)N)F
InChI
InChI=1S/C17H14F2N8/c18-9-5-10-13(16-24-14(21)12(20)15(22)25-16)26-27(17(10)23-6-9)7-8-3-1-2-4-11(8)19/h1-6H,7,20H2,(H4,21,22,24,25)
InChIKey
DVTLORLSDKRODH-UHFFFAOYSA-N
Compound name
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

368.13095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13823 179.4
[M+Na]+ 391.12017 192.4
[M+NH4]+ 386.16477 183.6
[M+K]+ 407.09411 188.7
[M-H]- 367.12367 181.9
[M+Na-2H]- 389.10562 186.6
[M]+ 368.13040 181.6
[M]- 368.13150 181.6
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

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