CID 54685364

Schembl4322077

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1=CC(=CC=C1CCCN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C17H15ClN2O3/c18-13-5-3-12(4-6-13)2-1-8-20-11-10-19-9-7-14(21)16(22)15(19)17(20)23/h3-7,9-11,22H,1-2,8H2
InChIKey
CQPDHWPZDJINSJ-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

330.07712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.084396 173.2
[M+Na]+ 353.066338 185.0
[M-H]- 329.069844 177.5
[M+NH4]+ 348.110943 186.1
[M+K]+ 369.040278 177.6
[M+H-H2O]+ 313.074380 164.4
[M+HCOO]- 375.075321 188.3
[M+CH3COO]- 389.090971 184.5
[M+Na-2H]- 351.051786 178.2
[M]+ 330.07657142 178.2
[M]- 330.07766858 178.2
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