CID 54683426

Schembl13892362

Structural Information

Molecular Formula
C18H12ClN3O3S
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=CN=CS4
InChI
InChI=1S/C18H12ClN3O3S/c19-12-3-1-2-11(6-12)8-22-5-4-21-9-13(14-7-20-10-26-14)16(23)17(24)15(21)18(22)25/h1-7,9-10,24H,8H2
InChIKey
RWCQUTCWRICFBL-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-thiazol-5-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

385.02878 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.03606 186.0
[M+Na]+ 408.01800 200.6
[M-H]- 384.02150 193.8
[M+NH4]+ 403.06260 197.8
[M+K]+ 423.99194 192.1
[M+H-H2O]+ 368.02604 177.6
[M+HCOO]- 430.02698 198.2
[M+CH3COO]- 444.04263 197.4
[M+Na-2H]- 406.00345 187.6
[M]+ 385.02823 194.2
[M]- 385.02933 194.2
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