CID 54705354

Schembl14129826

Structural Information

Molecular Formula
C18H14ClN3O4S
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=NC=CS3)O)CC4=C(C=C(C=C4)Cl)O
InChI
InChI=1S/C18H14ClN3O4S/c19-11-2-1-10(13(23)7-11)8-22-5-4-21-9-12(17-20-3-6-27-17)15(24)16(25)14(21)18(22)26/h1-3,6-7,9,23,25H,4-5,8H2
InChIKey
QDMQQRLJLMAPMW-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-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

403.03937 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.04665 190.2
[M+Na]+ 426.02859 201.7
[M-H]- 402.03209 195.8
[M+NH4]+ 421.07319 200.4
[M+K]+ 442.00253 193.9
[M+H-H2O]+ 386.03663 182.4
[M+HCOO]- 448.03757 196.9
[M+CH3COO]- 462.05322 199.6
[M+Na-2H]- 424.01404 188.5
[M]+ 403.03882 194.5
[M]- 403.03992 194.5
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