CID 3262355

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

Structural Information

Molecular Formula
C18H19BrN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CC=C3Br)C(=O)OC(C)C
InChI
InChI=1S/C18H19BrN2O3S/c1-10(2)24-17(23)15-11(3)20-18-21(14(22)8-9-25-18)16(15)12-6-4-5-7-13(12)19/h4-7,10,16H,8-9H2,1-3H3
InChIKey
XGEHIRIZCYPUMQ-UHFFFAOYSA-N
Compound name
propan-2-yl 6-(2-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

422.02997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.03725 179.7
[M+Na]+ 445.01919 189.8
[M-H]- 421.02269 186.8
[M+NH4]+ 440.06379 193.0
[M+K]+ 460.99313 177.9
[M+H-H2O]+ 405.02723 178.2
[M+HCOO]- 467.02817 187.9
[M+CH3COO]- 481.04382 220.9
[M+Na-2H]- 443.00464 180.3
[M]+ 422.02942 200.3
[M]- 422.03052 200.3
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.