CID 54677948

Schembl14129825

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CC(C)C1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H17ClN2O3/c1-11(2)14-10-20(9-12-4-3-5-13(19)8-12)18(24)16-17(23)15(22)6-7-21(14)16/h3-8,10-11,23H,9H2,1-2H3
InChIKey
SUCTWFCDXHIYPO-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-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

344.09277 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10005 177.1
[M+Na]+ 367.08199 189.0
[M-H]- 343.08549 181.8
[M+NH4]+ 362.12659 189.6
[M+K]+ 383.05593 182.1
[M+H-H2O]+ 327.09003 168.6
[M+HCOO]- 389.09097 190.9
[M+CH3COO]- 403.10662 211.2
[M+Na-2H]- 365.06744 179.9
[M]+ 344.09222 182.3
[M]- 344.09332 182.3
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.