CID 54705363

Schembl14129838

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
C1=CC=C(C(=C1)OCCN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C16H13ClN2O4/c17-11-3-1-2-4-13(11)23-10-9-19-8-7-18-6-5-12(20)15(21)14(18)16(19)22/h1-8,21H,9-10H2
InChIKey
ULQBZPRIVHXNQK-UHFFFAOYSA-N
Compound name
2-[2-(2-chlorophenoxy)ethyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

332.0564 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 171.2
[M+Na]+ 355.04562 183.1
[M-H]- 331.04912 175.7
[M+NH4]+ 350.09022 183.8
[M+K]+ 371.01956 176.8
[M+H-H2O]+ 315.05366 162.3
[M+HCOO]- 377.05460 186.7
[M+CH3COO]- 391.07025 205.3
[M+Na-2H]- 353.03107 176.8
[M]+ 332.05585 177.2
[M]- 332.05695 177.2
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