CID 54683434

Schembl14129648

Structural Information

Molecular Formula
C18H16ClFN2O3
SMILES
CC(C)C1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C18H16ClFN2O3/c1-10(2)14-9-21(8-11-3-4-13(20)12(19)7-11)18(25)16-17(24)15(23)5-6-22(14)16/h3-7,9-10,24H,8H2,1-2H3
InChIKey
YXQKPOLWESVMBU-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-fluorophenyl)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

362.08334 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09062 180.0
[M+Na]+ 385.07256 192.8
[M-H]- 361.07606 183.6
[M+NH4]+ 380.11716 192.0
[M+K]+ 401.04650 185.6
[M+H-H2O]+ 345.08060 170.7
[M+HCOO]- 407.08154 192.7
[M+CH3COO]- 421.09719 215.1
[M+Na-2H]- 383.05801 181.4
[M]+ 362.08279 184.7
[M]- 362.08389 184.7
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.