CID 3704241

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

Structural Information

Molecular Formula
C19H21BrN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)Br)C(=O)OCC(C)C
InChI
InChI=1S/C19H21BrN2O3S/c1-11(2)10-25-18(24)16-12(3)21-19-22(15(23)8-9-26-19)17(16)13-4-6-14(20)7-5-13/h4-7,11,17H,8-10H2,1-3H3
InChIKey
LFHYSYJSKNOHFR-UHFFFAOYSA-N
Compound name
2-methylpropyl 6-(4-bromophenyl)-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

436.04562 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.05290 177.9
[M+Na]+ 459.03484 181.1
[M+NH4]+ 454.07944 181.4
[M+K]+ 475.00878 179.9
[M-H]- 435.03834 179.1
[M+Na-2H]- 457.02029 180.0
[M]+ 436.04507 177.9
[M]- 436.04617 177.9
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.