CID 10042950

3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C21H19N5
SMILES
C1CC1C2=C3N=C(C=C(N3N=C2)NCC4=CN=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2
InChIKey
CCDIUVLNHCGSMH-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

341.16403 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17131 186.6
[M+Na]+ 364.15325 197.3
[M-H]- 340.15675 195.2
[M+NH4]+ 359.19785 192.0
[M+K]+ 380.12719 188.1
[M+H-H2O]+ 324.16129 175.0
[M+HCOO]- 386.16223 208.0
[M+CH3COO]- 400.17788 196.0
[M+Na-2H]- 362.13870 192.0
[M]+ 341.16348 189.0
[M]- 341.16458 189.0
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