CID 5275709

Schembl5448879

Structural Information

Molecular Formula
C23H23FN6
SMILES
CN(C)C1=NC=CC(=N1)C2=C3C=CC=C(N3N=C2C4=CC=C(C=C4)F)N5CCCC5
InChI
InChI=1S/C23H23FN6/c1-28(2)23-25-13-12-18(26-23)21-19-6-5-7-20(29-14-3-4-15-29)30(19)27-22(21)16-8-10-17(24)11-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKey
OYVQYHGDOBNBLY-UHFFFAOYSA-N
Compound name
4-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-N,N-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

402.1968 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20408 196.2
[M+Na]+ 425.18602 205.1
[M-H]- 401.18952 204.5
[M+NH4]+ 420.23062 204.6
[M+K]+ 441.15996 197.3
[M+H-H2O]+ 385.19406 182.1
[M+HCOO]- 447.19500 213.3
[M+CH3COO]- 461.21065 205.0
[M+Na-2H]- 423.17147 195.2
[M]+ 402.19625 196.2
[M]- 402.19735 196.2
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