CID 13266662

91532-91-1

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC1=CC(=CC=C1)N2CC3CN(CCN3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H21N3O/c1-15-6-5-9-17(12-15)22-14-18-13-20(10-11-21(18)19(22)23)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3
InChIKey
XKXAYHMAAABWQJ-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-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

307.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 175.6
[M+Na]+ 330.15768 182.4
[M-H]- 306.16118 181.5
[M+NH4]+ 325.20228 188.6
[M+K]+ 346.13162 176.1
[M+H-H2O]+ 290.16572 164.4
[M+HCOO]- 352.16666 190.6
[M+CH3COO]- 366.18231 185.1
[M+Na-2H]- 328.14313 176.0
[M]+ 307.16791 171.2
[M]- 307.16901 171.2
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.