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 179.0
[M+Na]+ 443.00356 189.7
[M-H]- 419.00706 186.0
[M+NH4]+ 438.04816 192.4
[M+K]+ 458.97750 176.6
[M+H-H2O]+ 403.01160 177.3
[M+HCOO]- 465.01254 188.3
[M+CH3COO]- 479.02819 219.4
[M+Na-2H]- 440.98901 180.5
[M]+ 420.01379 199.3
[M]- 420.01489 199.3
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.