CID 5184402

609794-76-5

Structural Information

Molecular Formula
C18H19BrN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CC=C3Br)C(=O)OCCOC
InChI
InChI=1S/C18H19BrN2O4S/c1-11-15(17(23)25-9-8-24-2)16(12-5-3-4-6-13(12)19)21-14(22)7-10-26-18(21)20-11/h3-6,16H,7-10H2,1-2H3
InChIKey
OOSGUMYFMONKLG-UHFFFAOYSA-N
Compound name
2-methoxyethyl 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

438.0249 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.03218 179.1
[M+Na]+ 461.01412 182.3
[M+NH4]+ 456.05872 182.3
[M+K]+ 476.98806 180.9
[M-H]- 437.01762 180.0
[M+Na-2H]- 458.99957 181.1
[M]+ 438.02435 179.0
[M]- 438.02545 179.0
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.