CID 4984198

609795-60-0

Structural Information

Molecular Formula
C20H23BrN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=C(C=CC(=C3)Br)OC)C(=O)OCC(C)C
InChI
InChI=1S/C20H23BrN2O4S/c1-11(2)10-27-19(25)17-12(3)22-20-23(16(24)7-8-28-20)18(17)14-9-13(21)5-6-15(14)26-4/h5-6,9,11,18H,7-8,10H2,1-4H3
InChIKey
XPVUKFWSLSKCND-UHFFFAOYSA-N
Compound name
2-methylpropyl 6-(5-bromo-2-methoxyphenyl)-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

466.05618 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06346 190.6
[M+Na]+ 489.04540 200.1
[M-H]- 465.04890 197.4
[M+NH4]+ 484.09000 202.2
[M+K]+ 505.01934 188.5
[M+H-H2O]+ 449.05344 188.6
[M+HCOO]- 511.05438 198.1
[M+CH3COO]- 525.07003 229.6
[M+Na-2H]- 487.03085 189.9
[M]+ 466.05563 213.3
[M]- 466.05673 213.3
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.