CID 3500606

Benzyl 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
C22H19BrN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CC=C3Br)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C22H19BrN2O3S/c1-14-19(21(27)28-13-15-7-3-2-4-8-15)20(16-9-5-6-10-17(16)23)25-18(26)11-12-29-22(25)24-14/h2-10,20H,11-13H2,1H3
InChIKey
JCQYYMQDKDVTMY-UHFFFAOYSA-N
Compound name
benzyl 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

470.02997 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.03725 193.6
[M+Na]+ 493.01919 203.1
[M-H]- 469.02269 203.1
[M+NH4]+ 488.06379 204.4
[M+K]+ 508.99313 190.4
[M+H-H2O]+ 453.02723 190.8
[M+HCOO]- 515.02817 202.7
[M+CH3COO]- 529.04382 203.8
[M+Na-2H]- 491.00464 195.3
[M]+ 470.02942 213.1
[M]- 470.03052 213.1
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.