CID 10317619

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

Structural Information

Molecular Formula
C18H14BrN5
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=NN3C(=C2)NCC4=CN=CN=C4)Br
InChI
InChI=1S/C18H14BrN5/c19-16-11-23-24-17(16)6-15(14-4-2-1-3-5-14)7-18(24)22-10-13-8-20-12-21-9-13/h1-9,11-12,22H,10H2
InChIKey
IBUPHWYGVDAASU-UHFFFAOYSA-N
Compound name
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

379.04327 Da
Monoisotopic Mass

3.5
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