CID 54683290

Schembl4316207

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C1CN(C(=O)C2=C(C(=O)C=CN21)O)CCCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O3/c20-14-8-10-18-11-12-19(17(22)15(18)16(14)21)9-4-7-13-5-2-1-3-6-13/h1-3,5-6,8,10,21H,4,7,9,11-12H2
InChIKey
LWGOUARWAAAFMB-UHFFFAOYSA-N
Compound name
9-hydroxy-2-(3-phenylpropyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

298.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.3
[M+Na]+ 321.12096 177.4
[M-H]- 297.12446 172.7
[M+NH4]+ 316.16556 182.0
[M+K]+ 337.09490 171.8
[M+H-H2O]+ 281.12900 159.8
[M+HCOO]- 343.12994 186.2
[M+CH3COO]- 357.14559 201.7
[M+Na-2H]- 319.10641 173.6
[M]+ 298.13119 168.8
[M]- 298.13229 168.8
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