CID 3583713

609794-70-9

Structural Information

Molecular Formula
C17H17BrN2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Br)C(=O)CCS2)C
InChI
InChI=1S/C17H17BrN2O3S/c1-3-23-16(22)14-10(2)19-17-20(13(21)8-9-24-17)15(14)11-6-4-5-7-12(11)18/h4-7,15H,3,8-9H2,1-2H3
InChIKey
RCHQZRPDPHCHJW-UHFFFAOYSA-N
Compound name
ethyl 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

408.01434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02162 171.4
[M+Na]+ 431.00356 175.4
[M+NH4]+ 426.04816 175.4
[M+K]+ 446.97750 173.7
[M-H]- 407.00706 172.9
[M+Na-2H]- 428.98901 174.1
[M]+ 408.01379 171.6
[M]- 408.01489 171.6
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.