CID 3095873

Methyl 6-(4-chlorophenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C16H15ClN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C16H15ClN2O3S/c1-9-13(15(21)22-2)14(10-3-5-11(17)6-4-10)19-12(20)7-8-23-16(19)18-9/h3-6,14H,7-8H2,1-2H3
InChIKey
FKKPNGBLMMBXNO-UHFFFAOYSA-N
Compound name
methyl 6-(4-chlorophenyl)-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

350.0492 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05648 176.9
[M+Na]+ 373.03842 191.6
[M+NH4]+ 368.08302 184.8
[M+K]+ 389.01236 182.2
[M-H]- 349.04192 180.2
[M+Na-2H]- 371.02387 182.5
[M]+ 350.04865 180.7
[M]- 350.04975 180.7
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.

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No patent data available for this compound.