CID 5275706

Schembl5453336

Structural Information

Molecular Formula
C25H27FN6
SMILES
CCCCNC1=CC=CC2=C(C(=NN21)C3=CC=C(C=C3)F)C4=NC(=NC=C4)N5CCCC5
InChI
InChI=1S/C25H27FN6/c1-2-3-14-27-22-8-6-7-21-23(20-13-15-28-25(29-20)31-16-4-5-17-31)24(30-32(21)22)18-9-11-19(26)12-10-18/h6-13,15,27H,2-5,14,16-17H2,1H3
InChIKey
ZSNDOSHJGAPYCQ-UHFFFAOYSA-N
Compound name
N-butyl-2-(4-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

430.22812 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23540 203.7
[M+Na]+ 453.21734 211.6
[M-H]- 429.22084 210.2
[M+NH4]+ 448.26194 210.4
[M+K]+ 469.19128 202.2
[M+H-H2O]+ 413.22538 189.4
[M+HCOO]- 475.22632 219.7
[M+CH3COO]- 489.24197 211.1
[M+Na-2H]- 451.20279 202.5
[M]+ 430.22757 203.1
[M]- 430.22867 203.1
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