CID 3729685

618075-65-3

Structural Information

Molecular Formula
C18H20N2O3S2
SMILES
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC=C(C=C3)SC
InChI
InChI=1S/C18H20N2O3S2/c1-5-13-16(21)20-15(11-6-8-12(24-4)9-7-11)14(17(22)23-3)10(2)19-18(20)25-13/h6-9,13,15H,5H2,1-4H3
InChIKey
IDODLTLGPSXWSG-UHFFFAOYSA-N
Compound name
methyl 2-ethyl-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.09152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09880 185.4
[M+Na]+ 399.08074 195.0
[M-H]- 375.08424 190.6
[M+NH4]+ 394.12534 199.3
[M+K]+ 415.05468 189.3
[M+H-H2O]+ 359.08878 178.9
[M+HCOO]- 421.08972 193.2
[M+CH3COO]- 435.10537 217.0
[M+Na-2H]- 397.06619 181.2
[M]+ 376.09097 191.8
[M]- 376.09207 191.8
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.