CID 3079332

125209-40-7

Structural Information

Molecular Formula
C15H15N3O4S2
SMILES
CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCSC3
InChI
InChI=1S/C15H15N3O4S2/c1-2-22-14(20)10-8-16-12-11(4-3-5-18(12)13(10)19)24-15(21)17-6-7-23-9-17/h3-5,8H,2,6-7,9H2,1H3
InChIKey
QVYIISQMAVQECY-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-9-(1,3-thiazolidine-3-carbonylsulfanyl)pyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.05038 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05766 180.0
[M+Na]+ 388.03960 188.5
[M-H]- 364.04310 183.5
[M+NH4]+ 383.08420 192.1
[M+K]+ 404.01354 183.8
[M+H-H2O]+ 348.04764 173.0
[M+HCOO]- 410.04858 187.2
[M+CH3COO]- 424.06423 208.5
[M+Na-2H]- 386.02505 178.3
[M]+ 365.04983 184.7
[M]- 365.05093 184.7
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