CID 54683571

Schembl14129821

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
CCCCCN1CCN2C=C(C(=O)C(=C2C1=O)O)C3=NC=CS3
InChI
InChI=1S/C16H19N3O3S/c1-2-3-4-6-18-7-8-19-10-11(15-17-5-9-23-15)13(20)14(21)12(19)16(18)22/h5,9-10,21H,2-4,6-8H2,1H3
InChIKey
SHEINIKPPQUHKH-UHFFFAOYSA-N
Compound name
9-hydroxy-2-pentyl-7-(1,3-thiazol-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

333.11472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 177.2
[M+Na]+ 356.10394 186.9
[M-H]- 332.10744 180.0
[M+NH4]+ 351.14854 190.2
[M+K]+ 372.07788 180.9
[M+H-H2O]+ 316.11198 169.2
[M+HCOO]- 378.11292 189.2
[M+CH3COO]- 392.12857 206.1
[M+Na-2H]- 354.08939 175.9
[M]+ 333.11417 180.7
[M]- 333.11527 180.7
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

patents stripe