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]+ 391.13222 190.9
[M+Na]+ 413.11416 200.2
[M-H]- 389.11766 196.6
[M+NH4]+ 408.15876 203.8
[M+K]+ 429.08810 196.8
[M+H-H2O]+ 373.12220 183.3
[M+HCOO]- 435.12314 203.8
[M+CH3COO]- 449.13879 221.6
[M+Na-2H]- 411.09961 187.1
[M]+ 390.12439 199.7
[M]- 390.12549 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.