CID 3095875

617698-55-2

Structural Information

Molecular Formula
C18H20N2O4S
SMILES
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H20N2O4S/c1-5-13-16(21)20-15(11-6-8-12(23-3)9-7-11)14(17(22)24-4)10(2)19-18(20)25-13/h6-9,13,15H,5H2,1-4H3
InChIKey
AHVRYPIGDKCUJM-UHFFFAOYSA-N
Compound name
methyl 2-ethyl-5-(4-methoxyphenyl)-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

360.11438 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12166 185.3
[M+Na]+ 383.10360 197.5
[M+NH4]+ 378.14820 191.8
[M+K]+ 399.07754 191.4
[M-H]- 359.10710 187.3
[M+Na-2H]- 381.08905 188.5
[M]+ 360.11383 188.0
[M]- 360.11493 188.0
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.