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 176.6
[M+Na]+ 350.10305 192.2
[M+NH4]+ 345.14765 185.5
[M+K]+ 366.07699 184.8
[M-H]- 326.10655 181.9
[M+Na-2H]- 348.08850 184.4
[M]+ 327.11328 180.7
[M]- 327.11438 180.7
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.