CID 21066096

5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C18H14FN5
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=NN3C(=C2)NCC4=CC=NC=C4)F
InChI
InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2
InChIKey
ZAIYYXVHGBMLEC-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

319.12332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.130596 172.4
[M+Na]+ 342.112538 182.9
[M-H]- 318.116044 177.3
[M+NH4]+ 337.157143 183.4
[M+K]+ 358.086478 174.7
[M+H-H2O]+ 302.120580 159.7
[M+HCOO]- 364.121521 193.0
[M+CH3COO]- 378.137171 182.9
[M+Na-2H]- 340.097986 179.6
[M]+ 319.12277142 172.7
[M]- 319.12386858 172.7
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