CID 3489993

Isopropyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C20H24N2O3S
SMILES
CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC(C)C
InChI
InChI=1S/C20H24N2O3S/c1-5-14-6-8-15(9-7-14)18-17(19(24)25-12(2)3)13(4)21-20-22(18)16(23)10-11-26-20/h6-9,12,18H,5,10-11H2,1-4H3
InChIKey
LABFHIJXDBVOEM-UHFFFAOYSA-N
Compound name
propan-2-yl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15804 187.8
[M+Na]+ 395.13998 200.5
[M+NH4]+ 390.18458 194.7
[M+K]+ 411.11392 192.0
[M-H]- 371.14348 190.7
[M+Na-2H]- 393.12543 192.1
[M]+ 372.15021 190.8
[M]- 372.15131 190.8
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.