CID 44563262

N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine

Structural Information

Molecular Formula
C18H13ClN4
SMILES
C1=CC=C(C=C1)C2=CN=C(C3=CN=CN32)NC4=CC=CC=C4Cl
InChI
InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22)
InChIKey
NNBICZMPIJMWGC-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

320.0829 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09018 172.5
[M+Na]+ 343.07212 183.6
[M-H]- 319.07562 179.6
[M+NH4]+ 338.11672 185.7
[M+K]+ 359.04606 175.0
[M+H-H2O]+ 303.08016 161.5
[M+HCOO]- 365.08110 190.8
[M+CH3COO]- 379.09675 183.8
[M+Na-2H]- 341.05757 179.6
[M]+ 320.08235 175.4
[M]- 320.08345 175.4
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