CID 54683335

Schembl14129724

Structural Information

Molecular Formula
C22H17ClN2O3
SMILES
C1=CC=C(C=C1)CC2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H17ClN2O3/c23-18-8-4-7-16(12-18)13-25-10-9-24-14-17(11-15-5-2-1-3-6-15)20(26)21(27)19(24)22(25)28/h1-10,12,14,27H,11,13H2
InChIKey
PZKNHZSXLUDZGO-UHFFFAOYSA-N
Compound name
7-benzyl-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

392.09277 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10005 192.4
[M+Na]+ 415.08199 203.8
[M-H]- 391.08549 199.6
[M+NH4]+ 410.12659 202.1
[M+K]+ 431.05593 195.2
[M+H-H2O]+ 375.09003 181.4
[M+HCOO]- 437.09097 206.6
[M+CH3COO]- 451.10662 202.3
[M+Na-2H]- 413.06744 196.2
[M]+ 392.09222 196.6
[M]- 392.09332 196.7
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.