CID 13266665

Imidazo(1,5-a)pyrazin-3(2h)-one, hexahydro-2-methyl-7-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1CC2CN(CCN2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C13H17N3O/c1-14-9-12-10-15(7-8-16(12)13(14)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey
OWJMPZDDKDYAOS-UHFFFAOYSA-N
Compound name
2-methyl-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 154.5
[M+Na]+ 254.126378 161.9
[M-H]- 230.129884 157.5
[M+NH4]+ 249.170983 171.1
[M+K]+ 270.100318 157.8
[M+H-H2O]+ 214.134420 145.2
[M+HCOO]- 276.135361 170.4
[M+CH3COO]- 290.151011 165.5
[M+Na-2H]- 252.111826 156.8
[M]+ 231.13661142 150.4
[M]- 231.13770858 150.4
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.