CID 5275683

Schembl5460085

Structural Information

Molecular Formula
C24H25FN6
SMILES
CCCCNC1=NC=CC(=N1)C2=C3C=CC=C(N3N=C2C4=CC=C(C=C4)F)NCC=C
InChI
InChI=1S/C24H25FN6/c1-3-5-15-27-24-28-16-13-19(29-24)22-20-7-6-8-21(26-14-4-2)31(20)30-23(22)17-9-11-18(25)12-10-17/h4,6-13,16,26H,2-3,5,14-15H2,1H3,(H,27,28,29)
InChIKey
MFNRTZFIEGKCLO-UHFFFAOYSA-N
Compound name
3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-prop-2-enylpyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

416.21246 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21974 202.7
[M+Na]+ 439.20168 211.5
[M-H]- 415.20518 207.3
[M+NH4]+ 434.24628 209.8
[M+K]+ 455.17562 201.6
[M+H-H2O]+ 399.20972 189.0
[M+HCOO]- 461.21066 222.4
[M+CH3COO]- 475.22631 210.7
[M+Na-2H]- 437.18713 206.0
[M]+ 416.21191 204.4
[M]- 416.21301 204.4
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