CID 3330913

Allyl 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
C18H17BrN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CC=C3Br)C(=O)OCC=C
InChI
InChI=1S/C18H17BrN2O3S/c1-3-9-24-17(23)15-11(2)20-18-21(14(22)8-10-25-18)16(15)12-6-4-5-7-13(12)19/h3-7,16H,1,8-10H2,2H3
InChIKey
VQBVKMKQYPMLSJ-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

420.01434 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.02162 174.7
[M+Na]+ 443.00356 178.4
[M+NH4]+ 438.04816 178.2
[M+K]+ 458.97750 176.5
[M-H]- 419.00706 175.8
[M+Na-2H]- 440.98901 177.0
[M]+ 420.01379 174.7
[M]- 420.01489 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.