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 186.5
[M+Na]+ 399.09850 196.3
[M-H]- 375.10200 192.5
[M+NH4]+ 394.14310 200.0
[M+K]+ 415.07244 193.1
[M+H-H2O]+ 359.10654 179.1
[M+HCOO]- 421.10748 199.8
[M+CH3COO]- 435.12313 218.7
[M+Na-2H]- 397.08395 183.2
[M]+ 376.10873 195.0
[M]- 376.10983 195.0
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.