CID 54683599

Schembl4315587

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1=CC=C(C(=C1)CCCN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C17H15ClN2O3/c18-13-6-2-1-4-12(13)5-3-8-20-11-10-19-9-7-14(21)16(22)15(19)17(20)23/h1-2,4,6-7,9-11,22H,3,5,8H2
InChIKey
JODXFFJTTHMNPS-UHFFFAOYSA-N
Compound name
2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

330.07712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 173.2
[M+Na]+ 353.06634 185.0
[M-H]- 329.06984 177.5
[M+NH4]+ 348.11094 186.1
[M+K]+ 369.04028 177.6
[M+H-H2O]+ 313.07438 164.4
[M+HCOO]- 375.07532 188.3
[M+CH3COO]- 389.09097 184.5
[M+Na-2H]- 351.05179 178.2
[M]+ 330.07657 178.2
[M]- 330.07767 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