CID 5275711

Schembl5462435

Structural Information

Molecular Formula
C23H25FN6
SMILES
CCCCNC1=NC=CC(=N1)C2=C3C=CC=C(N3N=C2C4=CC=C(C=C4)F)N(C)C
InChI
InChI=1S/C23H25FN6/c1-4-5-14-25-23-26-15-13-18(27-23)21-19-7-6-8-20(29(2)3)30(19)28-22(21)16-9-11-17(24)12-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,25,26,27)
InChIKey
DQLJJCYPTKDOOT-UHFFFAOYSA-N
Compound name
3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

404.21246 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21974 200.0
[M+Na]+ 427.20168 209.1
[M-H]- 403.20518 206.3
[M+NH4]+ 422.24628 208.3
[M+K]+ 443.17562 201.3
[M+H-H2O]+ 387.20972 186.3
[M+HCOO]- 449.21066 220.3
[M+CH3COO]- 463.22631 208.9
[M+Na-2H]- 425.18713 203.1
[M]+ 404.21191 203.3
[M]- 404.21301 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

literature stripe

Patent stripe

patents stripe