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]+ 308.175736 175.6
[M+Na]+ 330.157678 182.4
[M-H]- 306.161184 181.5
[M+NH4]+ 325.202283 188.6
[M+K]+ 346.131618 176.1
[M+H-H2O]+ 290.165720 164.4
[M+HCOO]- 352.166661 190.6
[M+CH3COO]- 366.182311 185.1
[M+Na-2H]- 328.143126 176.0
[M]+ 307.16791142 171.2
[M]- 307.16900858 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.