CID 5275690

Schembl5452168

Structural Information

Molecular Formula
C22H23FN6
SMILES
CCCCNC1=NC=CC(=N1)C2=C3C=CC=C(N3N=C2C4=CC=C(C=C4)F)NC
InChI
InChI=1S/C22H23FN6/c1-3-4-13-25-22-26-14-12-17(27-22)20-18-6-5-7-19(24-2)29(18)28-21(20)15-8-10-16(23)11-9-15/h5-12,14,24H,3-4,13H2,1-2H3,(H,25,26,27)
InChIKey
PVPVPEUVKPDJFD-UHFFFAOYSA-N
Compound name
3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

390.1968 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20408 194.7
[M+Na]+ 413.18602 204.2
[M-H]- 389.18952 199.8
[M+NH4]+ 408.23062 203.1
[M+K]+ 429.15996 195.3
[M+H-H2O]+ 373.19406 181.4
[M+HCOO]- 435.19500 215.0
[M+CH3COO]- 449.21065 203.6
[M+Na-2H]- 411.17147 199.2
[M]+ 390.19625 196.6
[M]- 390.19735 196.6
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