CID 4986007

617698-56-3

Structural Information

Molecular Formula
C19H22N2O5S
SMILES
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H22N2O5S/c1-6-14-17(22)21-16(11-7-8-12(24-3)13(9-11)25-4)15(18(23)26-5)10(2)20-19(21)27-14/h7-9,14,16H,6H2,1-5H3
InChIKey
FOSGWPWSCKRQPY-UHFFFAOYSA-N
Compound name
methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-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

390.12494 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.132216 190.9
[M+Na]+ 413.114158 200.2
[M-H]- 389.117664 196.6
[M+NH4]+ 408.158763 203.8
[M+K]+ 429.088098 196.8
[M+H-H2O]+ 373.122200 183.3
[M+HCOO]- 435.123141 203.8
[M+CH3COO]- 449.138791 221.6
[M+Na-2H]- 411.099606 187.1
[M]+ 390.12439142 199.7
[M]- 390.12548858 199.7
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

No patent data available for this compound.