CID 10249182

3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine

Structural Information

Molecular Formula
C18H14BrN5
SMILES
C1=CC=C(C=C1)C2=CN3C(=CN=C3C(=C2)NCC4=CN=CN=C4)Br
InChI
InChI=1S/C18H14BrN5/c19-17-10-23-18-16(22-9-13-7-20-12-21-8-13)6-15(11-24(17)18)14-4-2-1-3-5-14/h1-8,10-12,22H,9H2
InChIKey
LZLKFNBMXXLTLX-UHFFFAOYSA-N
Compound name
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

379.04327 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05055 177.7
[M+Na]+ 402.03249 190.2
[M-H]- 378.03599 186.2
[M+NH4]+ 397.07709 190.5
[M+K]+ 418.00643 176.2
[M+H-H2O]+ 362.04053 173.7
[M+HCOO]- 424.04147 197.2
[M+CH3COO]- 438.05712 190.0
[M+Na-2H]- 400.01794 186.3
[M]+ 379.04272 197.4
[M]- 379.04382 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.