CID 10249180

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

Structural Information

Molecular Formula
C18H14BrN5
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br
InChI
InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h1-10,12,21H,11H2
InChIKey
SMIZFGZXFDGISG-UHFFFAOYSA-N
Compound name
3-bromo-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

37
Patents

379.04327 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.050546 177.7
[M+Na]+ 402.032488 190.2
[M-H]- 378.035994 186.2
[M+NH4]+ 397.077093 190.5
[M+K]+ 418.006428 176.2
[M+H-H2O]+ 362.040530 173.7
[M+HCOO]- 424.041471 197.2
[M+CH3COO]- 438.057121 190.0
[M+Na-2H]- 400.017936 186.3
[M]+ 379.04272142 197.4
[M]- 379.04381858 197.4
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