CID 54683375

Schembl14129805

Structural Information

Molecular Formula
C18H15ClN4O3S
SMILES
CC1=NSC(=N1)C2=CN3CCN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C18H15ClN4O3S/c1-10-20-17(27-21-10)13-9-22-5-6-23(8-11-3-2-4-12(19)7-11)18(26)14(22)16(25)15(13)24/h2-4,7,9,25H,5-6,8H2,1H3
InChIKey
DTZKWKKWBVWOEO-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(3-methyl-1,2,4-thiadiazol-5-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

402.05533 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06261 192.5
[M+Na]+ 425.04455 204.7
[M-H]- 401.04805 197.9
[M+NH4]+ 420.08915 202.1
[M+K]+ 441.01849 196.7
[M+H-H2O]+ 385.05259 183.5
[M+HCOO]- 447.05353 199.1
[M+CH3COO]- 461.06918 201.8
[M+Na-2H]- 423.03000 190.5
[M]+ 402.05478 197.3
[M]- 402.05588 197.3
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

No patent data available for this compound.