CID 13266663

91532-92-2

Structural Information

Molecular Formula
C18H18ClN3O
SMILES
C1CN2C(CN1C3=CC=CC=C3)CN(C2=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C18H18ClN3O/c19-14-5-4-8-16(11-14)22-13-17-12-20(9-10-21(17)18(22)23)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2
InChIKey
HFMZMICYUXWTRF-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-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

327.11383 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12111 178.5
[M+Na]+ 350.10305 186.4
[M-H]- 326.10655 184.1
[M+NH4]+ 345.14765 191.4
[M+K]+ 366.07699 178.9
[M+H-H2O]+ 310.11109 167.4
[M+HCOO]- 372.11203 189.0
[M+CH3COO]- 386.12768 187.8
[M+Na-2H]- 348.08850 178.7
[M]+ 327.11328 175.8
[M]- 327.11438 175.8
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.