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]+ 328.121106 178.5
[M+Na]+ 350.103048 186.4
[M-H]- 326.106554 184.1
[M+NH4]+ 345.147653 191.4
[M+K]+ 366.076988 178.9
[M+H-H2O]+ 310.111090 167.4
[M+HCOO]- 372.112031 189.0
[M+CH3COO]- 386.127681 187.8
[M+Na-2H]- 348.088496 178.7
[M]+ 327.11328142 175.8
[M]- 327.11437858 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.