CID 5275684

Schembl5457524

Structural Information

Molecular Formula
C25H29FN6
SMILES
CCCCNC1=CC=CC2=C(C(=NN21)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NCCCC
InChI
InChI=1S/C25H29FN6/c1-3-5-15-27-22-9-7-8-21-23(20-14-17-29-25(30-20)28-16-6-4-2)24(31-32(21)22)18-10-12-19(26)13-11-18/h7-14,17,27H,3-6,15-16H2,1-2H3,(H,28,29,30)
InChIKey
YHJZUXLASHHBBN-UHFFFAOYSA-N
Compound name
N-butyl-3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

432.24377 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25105 207.4
[M+Na]+ 455.23299 215.4
[M-H]- 431.23649 211.8
[M+NH4]+ 450.27759 213.9
[M+K]+ 471.20693 205.9
[M+H-H2O]+ 415.24103 193.4
[M+HCOO]- 477.24197 226.5
[M+CH3COO]- 491.25762 214.9
[M+Na-2H]- 453.21844 210.3
[M]+ 432.24322 210.1
[M]- 432.24432 210.1
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

No patent data available for this compound.