CID 3385096

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

Structural Information

Molecular Formula
C21H24N2O5S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)OC(=O)C)C(=O)OCC(C)C
InChI
InChI=1S/C21H24N2O5S/c1-12(2)11-27-20(26)18-13(3)22-21-23(17(25)8-9-29-21)19(18)15-6-5-7-16(10-15)28-14(4)24/h5-7,10,12,19H,8-9,11H2,1-4H3
InChIKey
KDQHHVLQGQWGIZ-UHFFFAOYSA-N
Compound name
2-methylpropyl 6-(3-acetyloxyphenyl)-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

416.1406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14788 196.0
[M+Na]+ 439.12982 207.0
[M+NH4]+ 434.17442 201.1
[M+K]+ 455.10376 200.3
[M-H]- 415.13332 197.3
[M+Na-2H]- 437.11527 199.0
[M]+ 416.14005 198.1
[M]- 416.14115 198.1
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.

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No patent data available for this compound.