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

5
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

literature stripe

Patent stripe

patents stripe