CID 3568376

384845-27-6

Structural Information

Molecular Formula
C18H20N2O5S
SMILES
CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C18H20N2O5S/c1-9-14(17(22)25-5)15(20-16(21)10(2)26-18(20)19-9)11-6-7-12(23-3)13(8-11)24-4/h6-8,10,15H,1-5H3
InChIKey
MMELZDSVMIBFNE-UHFFFAOYSA-N
Compound name
methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-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

376.10928 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11656 189.0
[M+Na]+ 399.09850 201.0
[M+NH4]+ 394.14310 194.9
[M+K]+ 415.07244 195.6
[M-H]- 375.10200 190.5
[M+Na-2H]- 397.08395 191.4
[M]+ 376.10873 191.5
[M]- 376.10983 191.5
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.