CID 54683656

Schembl14129829

Structural Information

Molecular Formula
C24H21ClN2O3
SMILES
CC(C)C1=CN(C(=O)C2=C(C(=O)C(=CN12)C3=CC=CC=C3)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H21ClN2O3/c1-15(2)20-14-26(12-16-7-6-10-18(25)11-16)24(30)21-23(29)22(28)19(13-27(20)21)17-8-4-3-5-9-17/h3-11,13-15,29H,12H2,1-2H3
InChIKey
AIXQHVUNRVRKHE-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenyl-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.12408 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13136 200.7
[M+Na]+ 443.11330 211.7
[M-H]- 419.11680 208.0
[M+NH4]+ 438.15790 209.4
[M+K]+ 459.08724 203.4
[M+H-H2O]+ 403.12134 189.7
[M+HCOO]- 465.12228 213.2
[M+CH3COO]- 479.13793 210.0
[M+Na-2H]- 441.09875 201.6
[M]+ 420.12353 205.5
[M]- 420.12463 205.5
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

patents stripe