CID 44422489

N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine

Structural Information

Molecular Formula
C20H18N4
SMILES
CC1=C(C(=CC=C1)C)NC2=NC=C(N3C2=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)
InChIKey
KKYYLKPGILUPOA-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

314.15314 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.160416 175.4
[M+Na]+ 337.142358 185.9
[M-H]- 313.145864 183.1
[M+NH4]+ 332.186963 188.4
[M+K]+ 353.116298 178.2
[M+H-H2O]+ 297.150400 164.3
[M+HCOO]- 359.151341 197.8
[M+CH3COO]- 373.166991 186.8
[M+Na-2H]- 335.127806 181.3
[M]+ 314.15259142 177.2
[M]- 314.15368858 177.2
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