CID 54707925

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(5-methylthiazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione

Structural Information

Molecular Formula
C19H14ClN3O3S
SMILES
CC1=CN=C(S1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H14ClN3O3S/c1-11-8-21-18(27-11)14-10-22-5-6-23(9-12-3-2-4-13(20)7-12)19(26)15(22)17(25)16(14)24/h2-8,10,25H,9H2,1H3
InChIKey
RQZWZJYSGDMPSN-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(5-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.04443 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.05171 191.0
[M+Na]+ 422.03365 205.9
[M-H]- 398.03715 198.9
[M+NH4]+ 417.07825 202.4
[M+K]+ 438.00759 197.2
[M+H-H2O]+ 382.04169 182.5
[M+HCOO]- 444.04263 202.7
[M+CH3COO]- 458.05828 202.2
[M+Na-2H]- 420.01910 191.3
[M]+ 399.04388 199.9
[M]- 399.04498 199.9
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