CID 5275713

Schembl5460222

Structural Information

Molecular Formula
C25H27FN6O
SMILES
CCCCNC1=NC=CC(=N1)C2=C3C=CC=C(N3N=C2C4=CC=C(C=C4)F)N5CCOCC5
InChI
InChI=1S/C25H27FN6O/c1-2-3-12-27-25-28-13-11-20(29-25)23-21-5-4-6-22(31-14-16-33-17-15-31)32(21)30-24(23)18-7-9-19(26)10-8-18/h4-11,13H,2-3,12,14-17H2,1H3,(H,27,28,29)
InChIKey
GOPRMCBDOSYWOP-UHFFFAOYSA-N
Compound name
N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

446.22302 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23030 210.8
[M+Na]+ 469.21224 217.9
[M-H]- 445.21574 216.7
[M+NH4]+ 464.25684 213.2
[M+K]+ 485.18618 209.5
[M+H-H2O]+ 429.22028 195.1
[M+HCOO]- 491.22122 223.3
[M+CH3COO]- 505.23687 216.9
[M+Na-2H]- 467.19769 211.6
[M]+ 446.22247 209.4
[M]- 446.22357 209.4
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